(3R,4S)-4-(4-bromophenyl)-5-cyano-2-oxidanylidene-3-quinolin-1-ium-1-yl-3,4-dihydropyran-6-olate

Systemtic Name: (3R,4S)-4-(4-bromophenyl)-5-cyano-2-oxidanylidene-3-quinolin-1-ium-1-yl-3,4-dihydropyran-6-olate Openeye Name: (3R,4S)-4-(4-bromophenyl)-5-cyano-2-oxo-3-quinolin-1-ium-1-yl-3,4-dihydropyran-6-olate CAS Name: (3R,4S)-4-(4-bromophenyl)-5-cyano-2-oxo-3-(1-quinolin-1-iumyl)-3,4-dihydropyran-6-olate IUPAC Name: (3R,4S)-4-(4-bromophenyl)-5-cyano-2-oxo-3-quinolin-1-ium-1-yl-3,4-dihydropyran-6-olate Traditional Name: (3R,4S)-4-(4-bromophenyl)-5-cyano-2-keto-3-quinolin-1-ium-1-yl-3,4-dihydropyran-6-olate Formula: C21H13BrN2O3 MolecularWeight: 421.24352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2C3C(C(=C(OC3=O)[O-])C#N)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2[C@@H]3[C@H](C(=C(OC3=O)[O-])C#N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H13BrN2O3/c22-15-9-7-14(8-10-15)18-16(12-23)20(25)27-21(26)19(18)24-11-3-5-13-4-1-2-6-17(13)24/h1-11,18-19H/t18-,19+/m0/s1