[azanyl(sulfanyl)methylidene]azanium; O3-ethyl O5-methyl 2-(chloromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: [azanyl(sulfanyl)methylidene]azanium; O3-ethyl O5-methyl 2-(chloromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: [amino(sulfanyl)methylene]ammonium; O3-ethyl O5-methyl 2-(chloromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: [amino(mercapto)methylidene]ammonium; 2-(chloromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: [amino(sulfanyl)methylidene]azanium; 3-O-ethyl 5-O-methyl 2-(chloromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: [amino(mercapto)methylene]ammonium; 2-(chloromethyl)-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C19H24ClN4O6S+ MolecularWeight: 471.93506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C)CCl.C(=[NH2+])(N)S

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C)CCl.C(=[NH2+])(N)S

InChI

InChI=1S/C18H19ClN2O6.CH4N2S/c1-4-27-18(23)16-12(9-19)20-10(2)14(17(22)26-3)15(16)11-7-5-6-8-13(11)21(24)25;2-1(3)4/h5-8,15,20H,4,9H2,1-3H3;(H4,2,3,4)/p+1