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

Systemtic Name: ethyl 4-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C18H27ClN3O2+ MolecularWeight: 352.87888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O2/c1-2-24-18(23)22-9-7-17(8-10-22)21-13-11-20(12-14-21)16-5-3-15(19)4-6-16/h3-6,17H,2,7-14H2,1H3/p+1