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

Systemtic Name: 2-azanyl-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-(3-pyridin-1-iumyl)-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-4-o-phenetyl-1-pyridin-1-ium-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C[NH+]=CC=C4)N)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=C[NH+]=CC=C4)N)C#N

InChI

InChI=1S/C25H26N4O2/c1-4-31-21-10-6-5-9-17(21)22-18(14-26)24(27)29(16-8-7-11-28-15-16)19-12-25(2,3)13-20(30)23(19)22/h5-11,15,22H,4,12-13,27H2,1-3H3/p+1