(4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide

C149H195Br7N14O21 — CID 158987348

About (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide

(4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide (PubChem CID 158987348) has the molecular formula C149H195Br7N14O21 and a molecular weight of 3077.60 g/mol. Its IUPAC name is (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide.

Molecular Properties

• Compound Name: (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide
• PubChem CID: 158987348
• Molecular Formula: C149H195Br7N14O21
• Molecular Weight: 3077.60 g/mol
• Exact Mass: 3068.89
• IUPAC Name: (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide
• SMILES: C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c5c4[C@@]2(CC[N+]3(C)CC2CC2)[C@H]1O5.C=CC[N+]1(C)CC[C@]23C[C@@H](O)C=C[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13.C=CC[N+]1(C)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2[C@@H](O)C=C[C@@]3(O)[C@H]1C5.C[N+]1(C)CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13.C[N+]1(C)CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13.C[N+]1(CC2CCC2)CC[C@]23C[C@@H](O)C=C[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13.C[N+]1(CC2CCC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2[C@@H](O)C=C[C@@]3(O)[C@H]1C5.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-]
• InChI: InChI=1S/C23H28N2O4.C23H30N2O4.C23H28N2O3.C21H24N2O4.C21H26N2O3.C19H26N2O2.C19H26N2O.7BrH/c1-25(12-13-3-2-4-13)10-9-22-18-14-5-6-15(21(24)27)19(18)29-20(22)16(26)7-8-23(22,28)17(25)11-14;1-25(13-14-3-2-4-14)10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22;1-13-7-8-23(27)17-11-15-5-6-16(21(24)26)19-18(15)22(23,20(13)28-19)9-10-25(17,2)12-14-3-4-14;1-3-9-23(2)10-8-20-16-12-4-5-13(19(22)25)17(16)27-18(20)14(24)6-7-21(20,26)15(23)11-12;1-3-9-23(2)10-8-21-12-14(24)5-7-16(21)17(23)11-13-4-6-15(20(22)26)19(25)18(13)21;1-21(2)10-9-19-8-4-3-5-14(19)15(21)11-12-6-7-13(18(20)23)17(22)16(12)19;1-21(2)10-9-19-8-4-3-5-15(19)17(21)12-13-6-7-14(18(20)22)11-16(13)19;;;;;;;/h5-8,13,16-17,20,26,28H,2-4,9-12H2,1H3,(H-,24,27);5-8,14,16,18,26,29H,2-4,9-13H2,1H3,(H2-,24,27,28);5-6,14,17,20,27H,1,3-4,7-12H2,2H3,(H-,24,26);3-7,14-15,18,24,26H,1,8-11H2,2H3,(H-,22,25);3-7,14,16-17,24H,1,8-12H2,2H3,(H2-,22,25,26);6-7,14-15H,3-5,8-11H2,1-2H3,(H2-,20,22,23);6-7,11,15,17H,3-5,8-10,12H2,1-2H3,(H-,20,22);7*1H/t16-,17+,20-,22-,23+,25?;16-,18+,22+,23+,25?;17-,20+,22+,23-,25?;14-,15+,18-,20-,21+,23?;14-,16-,17+,21-,23?;14-,15+,19+;15-,17+,19+;;;;;;;/m0010000......./s1
• InChIKey: FALROMZQPOZVEJ-OTFRYZKHSA-N
• XLogP: -9.57
• TPSA: 551.85 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3077.60
LogP ≤ 5	-9.57
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide?

The IUPAC name of (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide (CID 158987348) is (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide.

What is the SMILES notation for (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide?

The canonical SMILES for (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide is C=C1CC[C@@]2(O)[C@H]3Cc4ccc(C(N)=O)c5c4[C@@]2(CC[N+]3(C)CC2CC2)[C@H]1O5.C=CC[N+]1(C)CC[C@]23C[C@@H](O)C=C[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13.C=CC[N+]1(C)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2[C@@H](O)C=C[C@@]3(O)[C@H]1C5.C[N+]1(C)CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)c(O)c13.C[N+]1(C)CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(C(N)=O)cc13.C[N+]1(CC2CCC2)CC[C@]23C[C@@H](O)C=C[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13.C[N+]1(CC2CCC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2[C@@H](O)C=C[C@@]3(O)[C@H]1C5.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].

What is the InChIKey of (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide?

The InChIKey is FALROMZQPOZVEJ-OTFRYZKHSA-N. The full InChI is InChI=1S/C23H28N2O4.C23H30N2O4.C23H28N2O3.C21H24N2O4.C21H26N2O3.C19H26N2O2.C19H26N2O.7BrH/c1-25(12-13-3-2-4-13)10-9-22-18-14-5-6-15(21(24)27)19(18)29-20(22)16(26)7-8-23(22,28)17(25)11-14;1-25(13-14-3-2-4-14)10-9-22-12-16(26)7-8-23(22,29)18(25)11-15-5-6-17(21(24)28)20(27)19(15)22;1-13-7-8-23(27)17-11-15-5-6-16(21(24)26)19-18(15)22(23,20(13)28-19)9-10-25(17,2)12-14-3-4-14;1-3-9-23(2)10-8-20-16-12-4-5-13(19(22)25)17(16)27-18(20)14(24)6-7-21(20,26)15(23)11-12;1-3-9-23(2)10-8-21-12-14(24)5-7-16(21)17(23)11-13-4-6-15(20(22)26)19(25)18(13)21;1-21(2)10-9-19-8-4-3-5-14(19)15(21)11-12-6-7-13(18(20)23)17(22)16(12)19;1-21(2)10-9-19-8-4-3-5-15(19)17(21)12-13-6-7-14(18(20)22)11-16(13)19;;;;;;;/h5-8,13,16-17,20,26,28H,2-4,9-12H2,1H3,(H-,24,27);5-8,14,16,18,26,29H,2-4,9-13H2,1H3,(H2-,24,27,28);5-6,14,17,20,27H,1,3-4,7-12H2,2H3,(H-,24,26);3-7,14-15,18,24,26H,1,8-11H2,2H3,(H-,22,25);3-7,14,16-17,24H,1,8-12H2,2H3,(H2-,22,25,26);6-7,14-15H,3-5,8-11H2,1-2H3,(H2-,20,22,23);6-7,11,15,17H,3-5,8-10,12H2,1-2H3,(H-,20,22);7*1H/t16-,17+,20-,22-,23+,25?;16-,18+,22+,23+,25?;17-,20+,22+,23-,25?;14-,15+,18-,20-,21+,23?;14-,16-,17+,21-,23?;14-,15+,19+;15-,17+,19+;;;;;;;/m0010000......./s1.

What are the key properties of (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide?

(4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide has a molecular weight of 3077.60 g/mol, XLogP of -9.57, 17 rotatable bonds, 18 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,4aS,7S,7aR,12bS)-4a,7-dihydroxy-3-methyl-3-prop-2-enyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-3-methyl-1,2,4,7,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-carboxamide;(1R,9R,10S,13R)-17-(cyclobutylmethyl)-3,10,13-trihydroxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1S,9R,10R,13R)-3,13-dihydroxy-17-methyl-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-4-carboxamide;(1R,9R,10R)-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;(1R,9R,10R)-3-hydroxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;heptabromide is sourced from PubChem (CID 158987348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).