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

Systemtic Name: 1-[(2,4-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(2,4-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(2,4-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2,4-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2,4-dimethylbenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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