1-[(3-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-(m-tolylmethyl)-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(3-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=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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