1-(2,5-dimethylphenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazin-4-ium Formula: C22H33N2+ MolecularWeight: 325.51082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2/c1-17(2)21-9-7-20(8-10-21)16-23-11-13-24(14-12-23)22-15-18(3)5-6-19(22)4/h5-7,15,21H,1,8-14,16H2,2-4H3/p+1/t21-/m1/s1