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

Systemtic Name: [6-bromanyl-3-ethoxycarbonyl-5-oxidanyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-azanium Openeye Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium CAS Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(1-piperidin-1-iumylmethyl)-4-indolyl]methyl-dimethylammonium IUPAC Name: [6-bromo-3-ethoxycarbonyl-5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethylazanium Traditional Name: [6-bromo-3-carbethoxy-5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indol-4-yl]methyl-dimethyl-ammonium Formula: C26H34BrN3O3+2 MolecularWeight: 516.47046

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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+]4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)O)Br)C3=CC=CC=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C26H32BrN3O3/c1-4-33-26(32)24-22(17-29-13-9-6-10-14-29)30(18-11-7-5-8-12-18)21-15-20(27)25(31)19(23(21)24)16-28(2)3/h5,7-8,11-12,15,31H,4,6,9-10,13-14,16-17H2,1-3H3/p+2