1-(2-methylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Openeye Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-(2-methylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(1R)-1-(3-nitrophenyl)ethyl]piperazin-4-ium Traditional Name: 1-[(1R)-1-(3-nitrophenyl)ethyl]-4-(o-tolyl)piperazin-1-ium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C(C)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H](C)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O2/c1-15-6-3-4-9-19(15)21-12-10-20(11-13-21)16(2)17-7-5-8-18(14-17)22(23)24/h3-9,14,16H,10-13H2,1-2H3/p+1/t16-/m1/s1