(3R,4R)-4-[4-(diethylamino)phenyl]-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: (3R,4R)-4-[4-(diethylamino)phenyl]-6-oxidanyl-2-oxidanylidene-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: (3R,4R)-4-[4-(diethylamino)phenyl]-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: (3R,4R)-4-[4-(diethylamino)phenyl]-6-hydroxy-2-oxo-3-(1-pyridin-1-iumyl)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: (3R,4R)-4-[4-(diethylamino)phenyl]-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: (3R,4R)-4-[4-(diethylamino)phenyl]-6-hydroxy-2-keto-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)[C@H]2[C@H](C(=O)NC(=C2C#N)O)[N+]3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-3-24(4-2)16-10-8-15(9-11-16)18-17(14-22)20(26)23-21(27)19(18)25-12-6-5-7-13-25/h5-13,18-19H,3-4H2,1-2H3,(H-,23,26,27)/p+1/t18-,19-/m1/s1