1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone Openeye Name: 1-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-(4-nitrophenyl)ethanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone Traditional Name: 1-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]-2-(4-nitrophenyl)ethanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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