1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium

C224H357N23O4S4+18 — CID 162043685

IUPAC1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
SMILESCC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CC(C)c1ccc(Cn2cc[n+](C)c2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C15H27N2.C15H21N2.C15H24N.C15H18N.C14H19N2.C14H25N2.C14H22N.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H20NS.C10H19N2.C10H21N.C10H16N.C8H14NO.C8H14NS/c2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(3)11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;2*1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-4-11-7-8-12(9-11)6-5-10(2)3;2*1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)3-4-9-5-6-10-7-9/h9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;4-9,11-12H,10H2,1-3H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-10H,4-6H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;2*5-8H,3-4H2,1-2H3/q14*+1;;3*+1/p+1
InChIKeyYXPQPJDKGMJRRG-UHFFFAOYSA-O
MW3564.74 g/mol
LogP48.08
Rot. Bonds58

About 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium

1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium (PubChem CID 162043685) has the molecular formula C224H357N23O4S4+18 and a molecular weight of 3564.74 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium.

Molecular Properties

Compound Name1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
PubChem CID162043685
Molecular FormulaC224H357N23O4S4+18
Molecular Weight3564.74 g/mol
Exact Mass3561.72
IUPAC Name1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium
SMILESCC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CC(C)c1ccc(Cn2cc[n+](C)c2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C15H27N2.C15H21N2.C15H24N.C15H18N.C14H19N2.C14H25N2.C14H22N.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H20NS.C10H19N2.C10H21N.C10H16N.C8H14NO.C8H14NS/c2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(3)11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;2*1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-4-11-7-8-12(9-11)6-5-10(2)3;2*1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)3-4-9-5-6-10-7-9/h9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;4-9,11-12H,10H2,1-3H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-10H,4-6H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;2*5-8H,3-4H2,1-2H3/q14*+1;;3*+1/p+1
InChIKeyYXPQPJDKGMJRRG-UHFFFAOYSA-O
XLogP48.08
TPSA147.61 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds58
Heavy Atoms255
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003564.74
LogP ≤ 548.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The IUPAC name of 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium (CID 162043685) is 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium.
What is the SMILES notation for 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The canonical SMILES for 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium is CC(C)C1CCC(C[n+]2ccccc2)C1.CC(C)C1CCC(C[n+]2ccccc2)CC1.CC(C)C1CCC(C[n+]2ccoc2)C1.CC(C)C1CCC(C[n+]2ccoc2)CC1.CC(C)C1CCC(C[n+]2ccsc2)C1.CC(C)C1CCC(C[n+]2ccsc2)CC1.CC(C)CC[NH+]1CCCCC1.CC(C)CC[n+]1ccccc1.CC(C)CC[n+]1ccoc1.CC(C)CC[n+]1ccsc1.CC(C)c1ccc(C[n+]2ccccc2)cc1.CC(C)c1ccc(C[n+]2ccoc2)cc1.CC(C)c1ccc(C[n+]2ccsc2)cc1.CC(C)c1ccc(Cn2cc[n+](C)c2)cc1.CCn1cc[n+](CC2CCC(C(C)C)C2)c1.CCn1cc[n+](CC2CCC(C(C)C)CC2)c1.CCn1cc[n+](CCC(C)C)c1.CCn1cc[n+](Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
The InChIKey is YXPQPJDKGMJRRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27N2.C15H21N2.C15H24N.C15H18N.C14H19N2.C14H25N2.C14H22N.C13H22NO.C13H16NO.C13H22NS.C13H16NS.C12H20NO.C12H20NS.C10H19N2.C10H21N.C10H16N.C8H14NO.C8H14NS/c2*1-4-16-9-10-17(12-16)11-14-5-7-15(8-6-14)13(2)3;2*1-13(2)15-8-6-14(7-9-15)12-16-10-4-3-5-11-16;1-12(2)14-6-4-13(5-7-14)10-16-9-8-15(3)11-16;1-4-15-7-8-16(11-15)10-13-5-6-14(9-13)12(2)3;1-12(2)14-7-6-13(10-14)11-15-8-4-3-5-9-15;4*1-11(2)13-5-3-12(4-6-13)9-14-7-8-15-10-14;2*1-10(2)12-4-3-11(7-12)8-13-5-6-14-9-13;1-4-11-7-8-12(9-11)6-5-10(2)3;2*1-10(2)6-9-11-7-4-3-5-8-11;2*1-8(2)3-4-9-5-6-10-7-9/h9-10,12-15H,4-8,11H2,1-3H3;5-10,12-13H,4,11H2,1-3H3;3-5,10-11,13-15H,6-9,12H2,1-2H3;3-11,13H,12H2,1-2H3;4-9,11-12H,10H2,1-3H3;7-8,11-14H,4-6,9-10H2,1-3H3;3-5,8-9,12-14H,6-7,10-11H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;7-8,10-13H,3-6,9H2,1-2H3;3-8,10-11H,9H2,1-2H3;2*5-6,9-12H,3-4,7-8H2,1-2H3;7-10H,4-6H2,1-3H3;10H,3-9H2,1-2H3;3-5,7-8,10H,6,9H2,1-2H3;2*5-8H,3-4H2,1-2H3/q14*+1;;3*+1/p+1.
What are the key properties of 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium?
1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium has a molecular weight of 3564.74 g/mol, XLogP of 48.08, 58 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylbutyl)imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylcyclohexyl)methyl]imidazol-3-ium;1-ethyl-3-[(3-propan-2-ylcyclopentyl)methyl]imidazol-3-ium;1-ethyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-3-ium;3-(3-methylbutyl)-1,3-oxazol-3-ium;1-(3-methylbutyl)piperidin-1-ium;1-(3-methylbutyl)pyridin-1-ium;3-(3-methylbutyl)-1,3-thiazol-3-ium;1-methyl-3-[(4-propan-2-ylphenyl)methyl]imidazol-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylcyclohexyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylcyclohexyl)methyl]-1,3-thiazol-3-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-oxazol-3-ium;1-[(3-propan-2-ylcyclopentyl)methyl]pyridin-1-ium;3-[(3-propan-2-ylcyclopentyl)methyl]-1,3-thiazol-3-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-oxazol-3-ium;1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium;3-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-3-ium is sourced from PubChem (CID 162043685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).