[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone

Systemtic Name: [4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone Openeye Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-(o-tolyl)methanone CAS Name: [4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-(2-methylphenyl)methanone IUPAC Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone Traditional Name: [4-(5-aminopyridin-1-ium-2-yl)piperazino]-(o-tolyl)methanone Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O/c1-13-4-2-3-5-15(13)17(22)21-10-8-20(9-11-21)16-7-6-14(18)12-19-16/h2-7,12H,8-11,18H2,1H3/p+1