(4S)-2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (4S)-2,2-dimethyl-4-(1-oxidanidylpyridin-1-ium-2-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (4S)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chromane-6-carbonitrile CAS Name: (4S)-2,2-dimethyl-4-(1-oxido-2-pyridin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (4S)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (4S)-2,2-dimethyl-4-(1-oxidopyridin-1-ium-2-yl)chroman-6-carbonitrile Formula: C17H16N2O2 MolecularWeight: 280.32114

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=[N+]3[O-])C

Isomeric SMILES

CC1(C[C@@H](C2=C(O1)C=CC(=C2)C#N)C3=CC=CC=[N+]3[O-])C

InChI

InChI=1S/C17H16N2O2/c1-17(2)10-14(15-5-3-4-8-19(15)20)13-9-12(11-18)6-7-16(13)21-17/h3-9,14H,10H2,1-2H3/t14-/m0/s1