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

Systemtic Name: 1-(phenylmethyl)-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium Openeye Name: 1-benzyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium CAS Name: 1-(phenylmethyl)-4-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]piperazin-4-ium IUPAC Name: 1-benzyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]piperazin-4-ium Formula: C22H35N2+ MolecularWeight: 327.5267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CC[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H34N2/c1-19-8-7-12-22(2,3)21(19)11-13-23-14-16-24(17-15-23)18-20-9-5-4-6-10-20/h4-6,9-10H,7-8,11-18H2,1-3H3/p+1