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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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