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

Systemtic Name: 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C21H28F3N2+ MolecularWeight: 365.45563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27F3N2/c1-16(2)18-8-6-17(7-9-18)15-25-10-12-26(13-11-25)20-5-3-4-19(14-20)21(22,23)24/h3-6,14,18H,1,7-13,15H2,2H3/p+1/t18-/m1/s1