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

Systemtic Name: 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-4-pyridin-2-yl-piperazin-1-ium Openeye Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-(2-pyridyl)piperazin-1-ium CAS Name: 1-[[(4S)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-(2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]-4-pyridin-2-ylpiperazin-1-ium Traditional Name: 1-[[(4S)-4-isopropenylcyclohexen-1-yl]methyl]-4-(2-pyridyl)piperazin-1-ium Formula: C19H28N3+ MolecularWeight: 298.44572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1CCC(=CC1)C[NH+]2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(=C)[C@H]1CCC(=CC1)C[NH+]2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C19H27N3/c1-16(2)18-8-6-17(7-9-18)15-21-11-13-22(14-12-21)19-5-3-4-10-20-19/h3-6,10,18H,1,7-9,11-15H2,2H3/p+1/t18-/m1/s1