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

Systemtic Name: ethyl 4-[2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-(4-benzoyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4/c1-2-29-21(28)25-10-8-18(9-11-25)22-19(26)16-23-12-14-24(15-13-23)20(27)17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3,(H,22,26)/p+1