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

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 2-(4-nitrophenyl)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-16-4-2-3-5-18(16)15-21-10-12-22(13-11-21)20(24)14-17-6-8-19(9-7-17)23(25)26/h2-9H,10-15H2,1H3/p+1