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

Systemtic Name: [azanyl-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium hydrochloride Openeye Name: [amino-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylene]ammonium hydrochloride CAS Name: [amino-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylidene]ammonium hydrochloride IUPAC Name: [amino-[[3,5-bis(ethoxycarbonyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylsulfanyl]methylidene]azanium hydrochloride Traditional Name: [amino-[[3,5-dicarbethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridin-2-yl]methylthio]methylene]ammonium hydrochloride Formula: C20H26ClN4O6S+ MolecularWeight: 485.96164

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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)OCC)CSC(=[NH2+])N)C.Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSC(=[NH2+])N)C.Cl

InChI

InChI=1S/C20H24N4O6S.ClH/c1-4-29-18(25)15-11(3)23-14(10-31-20(21)22)17(19(26)30-5-2)16(15)12-7-6-8-13(9-12)24(27)28;/h6-9,16,23H,4-5,10H2,1-3H3,(H3,21,22);1H/p+1