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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N2/c1-18(2)21-10-8-20(9-11-21)17-23-14-12-22(13-15-23)16-19-6-4-3-5-7-19/h3-8,21H,1,9-17H2,2H3/p+1/t21-/m1/s1