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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C26H30BrN2O4+ MolecularWeight: 514.4314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29BrN2O4/c1-4-32-26(31)25-20-14-24(33-18(3)30)21(27)15-22(20)29(19-8-6-5-7-9-19)23(25)16-28-12-10-17(2)11-13-28/h5-9,14-15,17H,4,10-13,16H2,1-3H3/p+1