1-[4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3/c1-15-4-3-5-17(12-15)14-21-8-10-22(11-9-21)19-7-6-18(16(2)24)13-20(19)23(25)26/h3-7,12-13H,8-11,14H2,1-2H3/p+1