2-methyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile

Systemtic Name: 2-methyl-5-oxidanylidene-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Openeye Name: 2-methyl-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile CAS Name: 2-methyl-5-oxo-4-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile IUPAC Name: 2-methyl-5-oxo-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Traditional Name: 5-keto-2-methyl-4-pyridin-1-ium-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile Formula: C16H16N3O+ MolecularWeight: 266.31774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=C[NH+]=CC=C3)C#N

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=C[NH+]=CC=C3)C#N

InChI

InChI=1S/C16H15N3O/c1-10-12(8-17)15(11-4-3-7-18-9-11)16-13(19-10)5-2-6-14(16)20/h3-4,7,9,15,19H,2,5-6H2,1H3/p+1