(2-chloranyl-1-methyl-4-phenyl-4H-quinolin-3-yl)methylidene-dimethyl-azanium; methyl sulfate

Systemtic Name: (2-chloranyl-1-methyl-4-phenyl-4H-quinolin-3-yl)methylidene-dimethyl-azanium; methyl sulfate Openeye Name: (2-chloro-1-methyl-4-phenyl-4H-quinolin-3-yl)methylene-dimethyl-ammonium; methyl sulfate CAS Name: (2-chloro-1-methyl-4-phenyl-4H-quinolin-3-yl)methylidene-dimethylammonium; methyl sulfate IUPAC Name: (2-chloro-1-methyl-4-phenyl-4H-quinolin-3-yl)methylidene-dimethylazanium; methyl sulfate Traditional Name: (2-chloro-1-methyl-4-phenyl-4H-quinolin-3-yl)methylene-dimethyl-ammonium; methyl sulfate Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(C(=C1Cl)C=[N+](C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2C(C(=C1Cl)C=[N+](C)C)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H20ClN2.CH4O4S/c1-21(2)13-16-18(14-9-5-4-6-10-14)15-11-7-8-12-17(15)22(3)19(16)20;1-5-6(2,3)4/h4-13,18H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1