(2-methylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-methylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: o-tolyl-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (2-methylphenyl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-methylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: o-tolyl-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N3O/c1-14-6-2-3-7-15(14)17(21)20-12-10-19(11-13-20)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3/p+1