(1S,6R)-N-(2-chlorophenyl)-6-piperazin-4-ium-1-ylcarbonyl-cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S,6R)-N-(2-chlorophenyl)-6-piperazin-4-ium-1-ylcarbonyl-cyclohex-3-ene-1-carboxamide Openeye Name: (1S,6R)-N-(2-chlorophenyl)-6-(piperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxamide CAS Name: (1S,6R)-N-(2-chlorophenyl)-6-[oxo(1-piperazin-4-iumyl)methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S,6R)-N-(2-chlorophenyl)-6-(piperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxamide Traditional Name: (1S,6R)-N-(2-chlorophenyl)-6-(piperazin-4-ium-1-carbonyl)cyclohex-3-ene-1-carboxamide Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2CC=CCC2C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C18H22ClN3O2/c19-15-7-3-4-8-16(15)21-17(23)13-5-1-2-6-14(13)18(24)22-11-9-20-10-12-22/h1-4,7-8,13-14,20H,5-6,9-12H2,(H,21,23)/p+1/t13-,14+/m0/s1