(E)-[azanyl(sulfanyl)methylidene]-(4-cyclohexyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-methyl-azanium

Systemtic Name: (E)-[azanyl(sulfanyl)methylidene]-(4-cyclohexyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-methyl-azanium Openeye Name: (E)-[amino(sulfanyl)methylene]-(4-cyclohexyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-methyl-ammonium CAS Name: (E)-[amino(mercapto)methylidene]-(4-cyclohexyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-methylammonium IUPAC Name: (E)-[amino(sulfanyl)methylidene]-(4-cyclohexyl-3-ethoxycarbonyl-5-methoxycarbonyl-6-methyl-1,4-dihydropyridin-2-yl)-methylazanium Traditional Name: (E)-[amino(mercapto)methylene]-(3-carbethoxy-5-carbomethoxy-4-cyclohexyl-6-methyl-1,4-dihydropyridin-2-yl)-methyl-ammonium Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C(=O)OC)C)[N+](=C(N)S)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2CCCCC2)C(=O)OC)C)/[N+](=C(\N)/S)/C

InChI

InChI=1S/C19H29N3O4S/c1-5-26-18(24)15-14(12-9-7-6-8-10-12)13(17(23)25-4)11(2)21-16(15)22(3)19(20)27/h12,14H,5-10H2,1-4H3,(H3,20,21,23,24,27)/p+1