4-[(E)-N-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-C-ethyl-carbonimidoyl]phenolate

Systemtic Name: 4-[(E)-N-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-C-ethyl-carbonimidoyl]phenolate Openeye Name: 4-[(E)-N-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-C-ethyl-carbonimidoyl]phenolate CAS Name: 4-[(1E)-1-[[4-(4-chlorophenyl)-1-piperazin-4-iumyl]imino]propyl]phenolate IUPAC Name: 4-[(E)-N-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-C-ethylcarbonimidoyl]phenolate Traditional Name: 4-[(E)-N-[4-(4-chlorophenyl)piperazin-4-ium-1-yl]-C-ethyl-carbonimidoyl]phenolate Formula: C19H22ClN3O MolecularWeight: 343.85048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NN1CC[NH+](CC1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[O-]

Isomeric SMILES

CC/C(=N\N1CC[NH+](CC1)C2=CC=C(C=C2)Cl)/C3=CC=C(C=C3)[O-]

InChI

InChI=1S/C19H22ClN3O/c1-2-19(15-3-9-18(24)10-4-15)21-23-13-11-22(12-14-23)17-7-5-16(20)6-8-17/h3-10,24H,2,11-14H2,1H3/b21-19+