1-[(2-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-(4-nitrophenyl)-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2-methylbenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O2/c1-15-4-2-3-5-16(15)14-19-10-12-20(13-11-19)17-6-8-18(9-7-17)21(22)23/h2-9H,10-14H2,1H3/p+1