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

Systemtic Name: 2-azanyl-4-(3-bromophenyl)-5-oxidanylidene-7-phenyl-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(3-bromophenyl)-5-oxo-7-phenyl-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(3-bromophenyl)-5-oxo-7-phenyl-1-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3-bromophenyl)-5-oxo-7-phenyl-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(3-bromophenyl)-5-keto-7-phenyl-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C27H22BrN4O+ MolecularWeight: 498.39378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1N(C(=C(C2C3=CC(=CC=C3)Br)C#N)N)C4=C[NH+]=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C(CC(=O)C2=C1N(C(=C(C2C3=CC(=CC=C3)Br)C#N)N)C4=C[NH+]=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21BrN4O/c28-20-9-4-8-18(12-20)25-22(15-29)27(30)32(21-10-5-11-31-16-21)23-13-19(14-24(33)26(23)25)17-6-2-1-3-7-17/h1-12,16,19,25H,13-14,30H2/p+1