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

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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