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

Systemtic Name: 2-azanyl-4-(1,3-dimethylpyrazol-4-yl)-5-oxidanylidene-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(1,3-dimethyl-4-pyrazolyl)-5-oxo-1-(3-pyridin-1-iumyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-oxo-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(1,3-dimethylpyrazol-4-yl)-5-keto-1-pyridin-1-ium-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21N6O+ MolecularWeight: 361.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C[NH+]=CC=C4)N)C#N)C

Isomeric SMILES

CC1=NN(C=C1C2C(=C(N(C3=C2C(=O)CCC3)C4=C[NH+]=CC=C4)N)C#N)C

InChI

InChI=1S/C20H20N6O/c1-12-15(11-25(2)24-12)18-14(9-21)20(22)26(13-5-4-8-23-10-13)16-6-3-7-17(27)19(16)18/h4-5,8,10-11,18H,3,6-7,22H2,1-2H3/p+1