1-(4-nitrophenyl)-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(4-nitrophenyl)-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Openeye Name: 1-[[(4R)-4-isopropenylcyclohexen-1-yl]methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[[(4R)-4-(1-methylethenyl)-1-cyclohexenyl]methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-(4-nitrophenyl)-4-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-4-ium Traditional Name: 1-[[(4R)-4-isopropenylcyclohexen-1-yl]methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-16(2)18-5-3-17(4-6-18)15-21-11-13-22(14-12-21)19-7-9-20(10-8-19)23(24)25/h3,7-10,18H,1,4-6,11-15H2,2H3/p+1/t18-/m0/s1