3-[2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate

Systemtic Name: 3-[2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate Openeye Name: 3-[2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate CAS Name: 3-[2-[4-[(4-chloroanilino)-oxomethyl]-1-piperazin-1-iumyl]ethylimino]-5,5-dimethyl-1-cyclohexenolate IUPAC Name: 3-[2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethylcyclohexen-1-olate Traditional Name: 3-[2-[4-[(4-chlorophenyl)carbamoyl]piperazin-1-ium-1-yl]ethylimino]-5,5-dimethyl-cyclohexen-1-olate Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=NCC[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl)C1)[O-])C

Isomeric SMILES

CC1(CC(=CC(=NCC[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl)C1)[O-])C

InChI

InChI=1S/C21H29ClN4O2/c1-21(2)14-18(13-19(27)15-21)23-7-8-25-9-11-26(12-10-25)20(28)24-17-5-3-16(22)4-6-17/h3-6,13,27H,7-12,14-15H2,1-2H3,(H,24,28)