3-chloranyl-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride

Systemtic Name: 3-chloranyl-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride Openeye Name: 3-chloro-5-isopropylidene-1,1-dimethyl-4-phenyl-2,6-dihydropyridin-1-ium chloride CAS Name: 3-chloro-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride IUPAC Name: 3-chloro-1,1-dimethyl-4-phenyl-5-propan-2-ylidene-2,6-dihydropyridin-1-ium chloride Traditional Name: 3-chloro-5-isopropylidene-1,1-dimethyl-4-phenyl-2,6-dihydropyridin-1-ium chloride Formula: C16H21Cl2N MolecularWeight: 298.25064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN.ClH/c1-12(2)14-10-18(3,4)11-15(17)16(14)13-8-6-5-7-9-13;/h5-9H,10-11H2,1-4H3;1H/q+1;/p-1