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

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-nitrophenyl)methyl]-4-(o-tolylmethyl)piperazin-1-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-methylbenzyl)-4-(4-nitrobenzyl)piperazin-4-ium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O2/c1-16-4-2-3-5-18(16)15-21-12-10-20(11-13-21)14-17-6-8-19(9-7-17)22(23)24/h2-9H,10-15H2,1H3/p+1