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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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