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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-2-[(4-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+]4CCC(CC4)C

Isomeric SMILES

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

InChI

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