3-chloranyl-1,1-dimethyl-4-(4-nitrophenyl)-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride

Systemtic Name: 3-chloranyl-1,1-dimethyl-4-(4-nitrophenyl)-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride Openeye Name: 3-chloro-5-isopropylidene-1,1-dimethyl-4-(4-nitrophenyl)-2,6-dihydropyridin-1-ium chloride CAS Name: 3-chloro-1,1-dimethyl-4-(4-nitrophenyl)-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride IUPAC Name: 3-chloro-1,1-dimethyl-4-(4-nitrophenyl)-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride Traditional Name: 3-chloro-5-isopropylidene-1,1-dimethyl-4-(4-nitrophenyl)-2,6-dihydropyridin-1-ium chloride Formula: C16H20Cl2N2O2 MolecularWeight: 343.2482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C[N+](CC(=C1C2=CC=C(C=C2)[N+](=O)[O-])Cl)(C)C)C.[Cl-]

Isomeric SMILES

CC(=C1C[N+](CC(=C1C2=CC=C(C=C2)[N+](=O)[O-])Cl)(C)C)C.[Cl-]

InChI

InChI=1S/C16H20ClN2O2.ClH/c1-11(2)14-9-19(3,4)10-15(17)16(14)12-5-7-13(8-6-12)18(20)21;/h5-8H,9-10H2,1-4H3;1H/q+1;/p-1