[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-(m-tolyl)methanone CAS Name: [4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-(3-methylphenyl)methanone IUPAC Name: [4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(5-aminopyridin-1-ium-2-yl)piperazino]-(m-tolyl)methanone Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)N

InChI

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