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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C20H28BrN2O3+ MolecularWeight: 424.35192

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)C[NH+]3CCC(CC3)C

InChI

InChI=1S/C20H27BrN2O3/c1-5-26-20(24)19-14-10-18(25-4)15(21)11-16(14)22(3)17(19)12-23-8-6-13(2)7-9-23/h10-11,13H,5-9,12H2,1-4H3/p+1