2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate

C160H166N24O32S5 — CID 157052879

About 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate

2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate (PubChem CID 157052879) has the molecular formula C160H166N24O32S5 and a molecular weight of 3097.56 g/mol. Its IUPAC name is 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate.

Molecular Properties

• Compound Name: 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate
• PubChem CID: 157052879
• Molecular Formula: C160H166N24O32S5
• Molecular Weight: 3097.56 g/mol
• Exact Mass: 3095.07
• IUPAC Name: 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate
• SMILES: C=c1ccc2c(c1S(=O)(=O)[O-])Oc1c(ccc(N)c1S(=O)(=O)[O-])C=2c1cc(C(=O)CCCNC(=O)c2ccc(CN=[N+]=[N-])[nH+]c2)ccc1C(=O)[O-].CCC1=CC(C)(C)[N+](C)=c2cc3c(cc21)=C(c1ccc(C(=O)NCCCC(=O)c2ccnc(CC)c2)cc1C(=O)O)c1cc2c(cc1O3)N(C)C(C)(C)C=C2CS(=O)(=O)[O-].Cc1ccc2c(-c3cc(C(=O)CCCNC(=O)c4ccc(CN=[N+]=[N-])nc4)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1.Cc1ccc2c(c1)C(C)(C)C(C=CC=CC=C1N(CCCS(=O)(=O)O)c3ccc(C)cc3C1(C)CCCCCC(=O)NCCNC(=O)c1ccc(CN=[N+]=[N-])nc1)=[N+]2CCCS(=O)(=O)O
• InChI: InChI=1S/C47H60N8O8S2.C47H50N4O8S.C34H30N6O5.C32H26N6O11S2/c1-34-17-21-40-38(30-34)46(3,4)42(54(40)26-12-28-64(58,59)60)14-8-6-9-15-43-47(5,39-31-35(2)18-22-41(39)55(43)27-13-29-65(61,62)63)23-11-7-10-16-44(56)49-24-25-50-45(57)36-19-20-37(51-32-36)33-52-53-48;1-9-27-24-46(3,4)50(7)38-22-41-36(20-33(27)38)43(37-21-34-30(26-60(56,57)58)25-47(5,6)51(8)39(34)23-42(37)59-41)32-14-13-29(19-35(32)45(54)55)44(53)49-16-11-12-40(52)28-15-17-48-31(10-2)18-28;1-20-6-11-26-30(15-20)45-31-17-24(40(2)3)10-13-27(31)32(26)28-16-21(8-12-25(28)34(43)44)29(41)5-4-14-36-33(42)22-7-9-23(37-18-22)19-38-39-35;1-16-4-8-21-26(22-10-11-24(33)30(51(46,47)48)28(22)49-27(21)29(16)50(43,44)45)23-13-17(6-9-20(23)32(41)42)25(39)3-2-12-35-31(40)18-5-7-19(36-14-18)15-37-38-34/h6,8-9,14-15,17-22,30-32H,7,10-13,16,23-29,33H2,1-5H3,(H3-,49,50,56,57,58,59,60,61,62,63);13-15,17-25H,9-12,16,26H2,1-8H3,(H2-,49,53,54,55,56,57,58);6-13,15-18H,4-5,14,19H2,1-3H3,(H-,36,42,43,44);4-11,13-14H,1-3,12,15,33H2,(H,35,40)(H,41,42)(H,43,44,45)(H,46,47,48)
• InChIKey: AAKJODQXFKKWDC-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 864.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 57
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3097.56
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate?

The IUPAC name of 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate (CID 157052879) is 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate.

What is the SMILES notation for 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate?

The canonical SMILES for 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate is C=c1ccc2c(c1S(=O)(=O)[O-])Oc1c(ccc(N)c1S(=O)(=O)[O-])C=2c1cc(C(=O)CCCNC(=O)c2ccc(CN=[N+]=[N-])[nH+]c2)ccc1C(=O)[O-].CCC1=CC(C)(C)[N+](C)=c2cc3c(cc21)=C(c1ccc(C(=O)NCCCC(=O)c2ccnc(CC)c2)cc1C(=O)O)c1cc2c(cc1O3)N(C)C(C)(C)C=C2CS(=O)(=O)[O-].Cc1ccc2c(-c3cc(C(=O)CCCNC(=O)c4ccc(CN=[N+]=[N-])nc4)ccc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1.Cc1ccc2c(c1)C(C)(C)C(C=CC=CC=C1N(CCCS(=O)(=O)O)c3ccc(C)cc3C1(C)CCCCCC(=O)NCCNC(=O)c1ccc(CN=[N+]=[N-])nc1)=[N+]2CCCS(=O)(=O)O.

What is the InChIKey of 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate?

The InChIKey is AAKJODQXFKKWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H60N8O8S2.C47H50N4O8S.C34H30N6O5.C32H26N6O11S2/c1-34-17-21-40-38(30-34)46(3,4)42(54(40)26-12-28-64(58,59)60)14-8-6-9-15-43-47(5,39-31-35(2)18-22-41(39)55(43)27-13-29-65(61,62)63)23-11-7-10-16-44(56)49-24-25-50-45(57)36-19-20-37(51-32-36)33-52-53-48;1-9-27-24-46(3,4)50(7)38-22-41-36(20-33(27)38)43(37-21-34-30(26-60(56,57)58)25-47(5,6)51(8)39(34)23-42(37)59-41)32-14-13-29(19-35(32)45(54)55)44(53)49-16-11-12-40(52)28-15-17-48-31(10-2)18-28;1-20-6-11-26-30(15-20)45-31-17-24(40(2)3)10-13-27(31)32(26)28-16-21(8-12-25(28)34(43)44)29(41)5-4-14-36-33(42)22-7-9-23(37-18-22)19-38-39-35;1-16-4-8-21-26(22-10-11-24(33)30(51(46,47)48)28(22)49-27(21)29(16)50(43,44)45)23-13-17(6-9-20(23)32(41)42)25(39)3-2-12-35-31(40)18-5-7-19(36-14-18)15-37-38-34/h6,8-9,14-15,17-22,30-32H,7,10-13,16,23-29,33H2,1-5H3,(H3-,49,50,56,57,58,59,60,61,62,63);13-15,17-25H,9-12,16,26H2,1-8H3,(H2-,49,53,54,55,56,57,58);6-13,15-18H,4-5,14,19H2,1-3H3,(H-,36,42,43,44);4-11,13-14H,1-3,12,15,33H2,(H,35,40)(H,41,42)(H,43,44,45)(H,46,47,48).

What are the key properties of 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate?

2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate has a molecular weight of 3097.56 g/mol, XLogP of 19.73, 57 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-amino-6-methylidene-4,5-disulfonatoxanthen-9-yl)-4-[4-[[6-(azidomethyl)pyridin-1-ium-3-carbonyl]amino]butanoyl]benzoate;[9-[5-[4-[[6-(azidomethyl)pyridine-3-carbonyl]amino]butanoyl]-2-carboxyphenyl]-6-methylxanthen-3-ylidene]-dimethylazanium;3-[3-[6-[2-[[6-(azidomethyl)pyridine-3-carbonyl]amino]ethylamino]-6-oxohexyl]-3,5-dimethyl-2-[5-[3,3,5-trimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]indol-1-yl]propane-1-sulfonic acid;[13-[2-carboxy-4-[[4-(2-ethyl-4-pyridinyl)-4-oxobutyl]carbamoyl]phenyl]-17-ethyl-6,7,7,19,19,20-hexamethyl-2-oxa-6-aza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,8,10,13,15,17,20-nonaen-9-yl]methanesulfonate is sourced from PubChem (CID 157052879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).