ethyl 6-bromanyl-5-oxidanyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-oxidanyl-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-phenyl-2-(1-piperidin-1-iumylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-phenyl-2-(piperidin-1-ium-1-ylmethyl)indole-3-carboxylic acid ethyl ester Formula: C23H26BrN2O3+ MolecularWeight: 458.36814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O3/c1-2-29-23(28)22-17-13-21(27)18(24)14-19(17)26(16-9-5-3-6-10-16)20(22)15-25-11-7-4-8-12-25/h3,5-6,9-10,13-14,27H,2,4,7-8,11-12,15H2,1H3/p+1