[azanyl(sulfanyl)methylidene]azanium; diethyl 2-(chloromethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: [azanyl(sulfanyl)methylidene]azanium; diethyl 2-(chloromethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: [amino(sulfanyl)methylene]ammonium; diethyl 2-(chloromethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: [amino(mercapto)methylidene]ammonium; 2-(chloromethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: [amino(sulfanyl)methylidene]azanium; diethyl 2-(chloromethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: [amino(mercapto)methylene]ammonium; 2-(chloromethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C21H26ClF3N3O4S+ MolecularWeight: 508.96205

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC)CCl)C.C(=[NH2+])(N)S

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCC)CCl)C.C(=[NH2+])(N)S

InChI

InChI=1S/C20H21ClF3NO4.CH4N2S/c1-4-28-18(26)15-11(3)25-14(10-21)17(19(27)29-5-2)16(15)12-8-6-7-9-13(12)20(22,23)24;2-1(3)4/h6-9,16,25H,4-5,10H2,1-3H3;(H4,2,3,4)/p+1