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

Systemtic Name: 2-azanyl-4-(4-fluorophenyl)-5-oxidanylidene-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(4-fluorophenyl)-5-oxo-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(4-fluorophenyl)-5-oxo-1-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(4-fluorophenyl)-5-oxo-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(4-fluorophenyl)-5-keto-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H18FN4O+ MolecularWeight: 361.392223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC=C(C=C4)F)C(=O)C1

Isomeric SMILES

C1CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC=C(C=C4)F)C(=O)C1

InChI

InChI=1S/C21H17FN4O/c22-14-8-6-13(7-9-14)19-16(11-23)21(24)26(15-3-2-10-25-12-15)17-4-1-5-18(27)20(17)19/h2-3,6-10,12,19H,1,4-5,24H2/p+1