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

Systemtic Name: 2-azanyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-5-oxo-1-pyridin-1-ium-3-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-5-oxo-1-(3-pyridin-1-iumyl)-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-5-oxo-1-pyridin-1-ium-3-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-1-pyridin-1-ium-3-yl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H25N4O4+ MolecularWeight: 433.4797

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C[NH+]=CC=C4)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(N(C3=C2C(=O)CCC3)C4=C[NH+]=CC=C4)N)C#N

InChI

InChI=1S/C24H24N4O4/c1-30-19-10-14(11-20(31-2)23(19)32-3)21-16(12-25)24(26)28(15-6-5-9-27-13-15)17-7-4-8-18(29)22(17)21/h5-6,9-11,13,21H,4,7-8,26H2,1-3H3/p+1