[6-bromanyl-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-azanium

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(1-pyrrolidin-1-iumylmethyl)-4-indolyl]methyl-dimethylammonium IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-phenyl-2-(pyrrolidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium Formula: C25H32BrN3O3+2 MolecularWeight: 502.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C25H30BrN3O3/c1-4-32-25(31)23-21(16-28-12-8-9-13-28)29(17-10-6-5-7-11-17)20-14-19(26)24(30)18(22(20)23)15-27(2)3/h5-7,10-11,14,30H,4,8-9,12-13,15-16H2,1-3H3/p+2