[azanyl-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]-methyl-azanium hydrochloride

Systemtic Name: [azanyl-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]-methyl-azanium hydrochloride Openeye Name: [amino-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]methylsulfanyl]methylene]-methyl-ammonium hydrochloride CAS Name: [amino-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]methylthio]methylidene]-methylammonium hydrochloride IUPAC Name: [amino-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]-methylazanium hydrochloride Traditional Name: [amino-[(3,5-dicarbethoxy-6-methyl-4-phenyl-1,4-dihydropyridin-2-yl)methylthio]methylene]-methyl-ammonium hydrochloride Formula: C21H29ClN3O4S+ MolecularWeight: 454.99066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)CSC(=[NH+]C)N)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)CSC(=[NH+]C)N)C.Cl

InChI

InChI=1S/C21H27N3O4S.ClH/c1-5-27-19(25)16-13(3)24-15(12-29-21(22)23-4)18(20(26)28-6-2)17(16)14-10-8-7-9-11-14;/h7-11,17,24H,5-6,12H2,1-4H3,(H2,22,23);1H/p+1