ethyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-phenylpiperazin-1-ium-1-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-(4-phenyl-1-piperazin-1-iumyl)ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-phenylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H30N4O3/c1-2-27-20(26)24-10-8-17(9-11-24)21-19(25)16-22-12-14-23(15-13-22)18-6-4-3-5-7-18/h3-7,17H,2,8-16H2,1H3,(H,21,25)/p+1