ethyl 4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C20H30ClN4O3+ MolecularWeight: 409.9302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O3/c1-2-28-20(27)25-8-6-17(7-9-25)22-19(26)15-23-10-12-24(13-11-23)18-5-3-4-16(21)14-18/h3-5,14,17H,2,6-13,15H2,1H3,(H,22,26)/p+1