2-azanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile

Systemtic Name: 2-azanyl-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridin-1-iumyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-4-(3,4-dimethoxyphenyl)-5-keto-7,7-dimethyl-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H27N4O3+ MolecularWeight: 431.50688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C

InChI

InChI=1S/C25H26N4O3/c1-25(2)11-18-23(19(30)12-25)22(15-7-8-20(31-3)21(10-15)32-4)17(13-26)24(27)29(18)16-6-5-9-28-14-16/h5-10,14,22H,11-12,27H2,1-4H3/p+1