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

Systemtic Name: 1-[4-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-17(2)20-6-4-19(5-7-20)16-23-12-14-24(15-13-23)22-10-8-21(9-11-22)18(3)25/h4,8-11,20H,1,5-7,12-16H2,2-3H3/p+1/t20-/m1/s1