N-(4-chlorophenyl)-4-[2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-chlorophenyl)-4-[2-[(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)amino]ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(4-chlorophenyl)-4-[2-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-chlorophenyl)-4-[2-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-chlorophenyl)-4-[2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]ethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(4-chlorophenyl)-4-[2-[(3-keto-5,5-dimethyl-cyclohexen-1-yl)amino]ethyl]piperazin-4-ium-1-carboxamide Formula: C21H30ClN4O2+ MolecularWeight: 405.9415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(CC(=CC(=O)C1)NCC[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl)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/h3-6,13,23H,7-12,14-15H2,1-2H3,(H,24,28)/p+1