1-(3-chlorophenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(3-chlorophenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Openeye Name: 1-(3-chlorophenyl)-4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazin-4-ium CAS Name: 1-(3-chlorophenyl)-4-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3-chlorophenyl)-4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Traditional Name: 1-(3-chlorophenyl)-4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazin-4-ium Formula: C20H28ClN2+ MolecularWeight: 331.90272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2/c1-16(2)18-8-6-17(7-9-18)15-22-10-12-23(13-11-22)20-5-3-4-19(21)14-20/h3-6,14,18H,1,7-13,15H2,2H3/p+1/t18-/m1/s1