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

Systemtic Name: ethyl 3-[3-(4-aminocarbonylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate CAS Name: 3-[[3-(4-carbamoyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-carbamoylpiperidin-1-ium-1-yl)propanoylamino]-1H-indole-2-carboxylic acid ethyl ester Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CC[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C20H26N4O4/c1-2-28-20(27)18-17(14-5-3-4-6-15(14)22-18)23-16(25)9-12-24-10-7-13(8-11-24)19(21)26/h3-6,13,22H,2,7-12H2,1H3,(H2,21,26)(H,23,25)/p+1