(E)-1-(4-methylphenyl)-3-[(6-methylpyridin-1-ium-2-yl)amino]prop-2-en-1-one

Systemtic Name: (E)-1-(4-methylphenyl)-3-[(6-methylpyridin-1-ium-2-yl)amino]prop-2-en-1-one Openeye Name: (E)-3-[(6-methylpyridin-1-ium-2-yl)amino]-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-1-(4-methylphenyl)-3-[(6-methyl-2-pyridin-1-iumyl)amino]-2-propen-1-one IUPAC Name: (E)-1-(4-methylphenyl)-3-[(6-methylpyridin-1-ium-2-yl)amino]prop-2-en-1-one Traditional Name: (E)-3-[(6-methylpyridin-1-ium-2-yl)amino]-1-(p-tolyl)prop-2-en-1-one Formula: C16H17N2O+ MolecularWeight: 253.31898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CNC2=CC=CC(=[NH+]2)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC(=[NH+]2)C

InChI

InChI=1S/C16H16N2O/c1-12-6-8-14(9-7-12)15(19)10-11-17-16-5-3-4-13(2)18-16/h3-11H,1-2H3,(H,17,18)/p+1/b11-10+