1-(3-chlorophenyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium Formula: C21H32ClN2+ MolecularWeight: 347.94518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CC[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CC[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H31ClN2/c1-17-6-5-10-21(2,3)20(17)9-11-23-12-14-24(15-13-23)19-8-4-7-18(22)16-19/h4,7-8,16H,5-6,9-15H2,1-3H3/p+1