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

Systemtic Name: [3-(4-methylphenyl)phenyl]-piperazin-4-ium-1-yl-methanone Openeye Name: piperazin-4-ium-1-yl-[3-(p-tolyl)phenyl]methanone CAS Name: [3-(4-methylphenyl)phenyl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [3-(4-methylphenyl)phenyl]-piperazin-4-ium-1-ylmethanone Traditional Name: piperazin-4-ium-1-yl-[3-(p-tolyl)phenyl]methanone Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C18H20N2O/c1-14-5-7-15(8-6-14)16-3-2-4-17(13-16)18(21)20-11-9-19-10-12-20/h2-8,13,19H,9-12H2,1H3/p+1