ethyl 6-bromanyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-oxidanyl-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C24H28BrN2O3+ MolecularWeight: 472.39472

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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+]4CCC(CC4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)C[NH+]4CCC(CC4)C

InChI

InChI=1S/C24H27BrN2O3/c1-3-30-24(29)23-18-13-22(28)19(25)14-20(18)27(17-7-5-4-6-8-17)21(23)15-26-11-9-16(2)10-12-26/h4-8,13-14,16,28H,3,9-12,15H2,1-2H3/p+1