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

Systemtic Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Openeye Name: (2-nitrophenyl)-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-(2-nitrophenyl)methanone IUPAC Name: [4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-(4-methylbenzyl)piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-15-6-8-16(9-7-15)14-20-10-12-21(13-11-20)19(23)17-4-2-3-5-18(17)22(24)25/h2-9H,10-14H2,1H3/p+1