methyl 4-methoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 4-methoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-methoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-methoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 4-methoxy-3-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CCC(=O)NC2=C(NC3=C2C(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C20H27N3O4/c1-13-7-10-23(11-8-13)12-9-16(24)22-18-17-14(5-4-6-15(17)26-2)21-19(18)20(25)27-3/h4-6,13,21H,7-12H2,1-3H3,(H,22,24)/p+1