methyl 3-[3-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H26N4O5/c1-28-13-3-4-14-15(11-13)22-18(20(27)29-2)17(14)23-16(25)7-10-24-8-5-12(6-9-24)19(21)26/h3-4,11-12,22H,5-10H2,1-2H3,(H2,21,26)(H,23,25)/p+1