1-(4-methylphenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Openeye Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-(p-tolyl)piperazin-1-ium CAS Name: 1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-(4-methylphenyl)piperazin-1-ium IUPAC Name: 1-(4-methylphenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Traditional Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-(p-tolyl)piperazin-1-ium Formula: C21H31N2+ MolecularWeight: 311.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CCC(CC3)C(=C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC[C@H](CC3)C(=C)C

InChI

InChI=1S/C21H30N2/c1-17(2)20-8-6-19(7-9-20)16-22-12-14-23(15-13-22)21-10-4-18(3)5-11-21/h4-6,10-11,20H,1,7-9,12-16H2,2-3H3/p+1/t20-/m1/s1