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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCC(CC3)C(=O)N

InChI

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