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

Systemtic Name: 2-azanyl-7,7-dimethyl-5-oxidanylidene-1-pyridin-1-ium-3-yl-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Openeye Name: 2-amino-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-4-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile CAS Name: 2-amino-7,7-dimethyl-5-oxo-1-(3-pyridin-1-iumyl)-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile IUPAC Name: 2-amino-7,7-dimethyl-5-oxo-1-pyridin-1-ium-3-yl-4-thiophen-2-yl-6,8-dihydro-4H-quinoline-3-carbonitrile Traditional Name: 2-amino-5-keto-7,7-dimethyl-1-pyridin-1-ium-3-yl-4-(2-thienyl)-6,8-dihydro-4H-quinoline-3-carbonitrile Formula: C21H21N4OS+ MolecularWeight: 377.48264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC=CS4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2C3=C[NH+]=CC=C3)N)C#N)C4=CC=CS4)C(=O)C1)C

InChI

InChI=1S/C21H20N4OS/c1-21(2)9-15-19(16(26)10-21)18(17-6-4-8-27-17)14(11-22)20(23)25(15)13-5-3-7-24-12-13/h3-8,12,18H,9-10,23H2,1-2H3/p+1