2-azanyl-1-(4-methylphenyl)-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-1-(4-methylphenyl)-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-5-oxo-1-(p-tolyl)-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-1-(4-methylphenyl)-5-oxo-4-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-1-(4-methylphenyl)-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-1-(p-tolyl)-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H21N4O+ MolecularWeight: 357.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=C[NH+]=CC=C4)C(=O)CCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=C[NH+]=CC=C4)C(=O)CCC3

InChI

InChI=1S/C22H20N4O/c1-14-7-9-16(10-8-14)26-18-5-2-6-19(27)21(18)20(17(12-23)22(26)24)15-4-3-11-25-13-15/h3-4,7-11,13,20H,2,5-6,24H2,1H3/p+1