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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-phenyl-indole-3-carboxylic acid ethyl ester Formula: C25H30BrN2O3+ MolecularWeight: 486.4213

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CCCCC4C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)C[NH+]4CCCC[C@@H]4C

InChI

InChI=1S/C25H29BrN2O3/c1-4-31-25(29)24-19-14-23(30-3)20(26)15-21(19)28(18-11-6-5-7-12-18)22(24)16-27-13-9-8-10-17(27)2/h5-7,11-12,14-15,17H,4,8-10,13,16H2,1-3H3/p+1/t17-/m0/s1