1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(3,5-dimethylbenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C19H24N3O2+ MolecularWeight: 326.41276

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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-])C

Isomeric SMILES

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

InChI

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