ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H27N4O3+ MolecularWeight: 359.44268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H26N4O3/c1-2-26-19(25)23-11-9-22(10-12-23)14-18(24)20-8-7-15-13-21-17-6-4-3-5-16(15)17/h3-6,13,21H,2,7-12,14H2,1H3,(H,20,24)/p+1