(2-methoxycarbonyl-5-methylsulfanyl-1-phenylmethoxycarbonyl-2,3-dihydropyrrol-4-yl)methylidene-dimethyl-azanium iodide

Systemtic Name: (2-methoxycarbonyl-5-methylsulfanyl-1-phenylmethoxycarbonyl-2,3-dihydropyrrol-4-yl)methylidene-dimethyl-azanium iodide Openeye Name: (1-benzyloxycarbonyl-2-methoxycarbonyl-5-methylsulfanyl-2,3-dihydropyrrol-4-yl)methylene-dimethyl-ammonium iodide CAS Name: [2-methoxycarbonyl-5-(methylthio)-1-phenylmethoxycarbonyl-2,3-dihydropyrrol-4-yl]methylidene-dimethylammonium iodide IUPAC Name: (2-methoxycarbonyl-5-methylsulfanyl-1-phenylmethoxycarbonyl-2,3-dihydropyrrol-4-yl)methylidene-dimethylazanium iodide Traditional Name: [1-carbobenzoxy-5-carbomethoxy-2-(methylthio)-2-pyrrolin-3-yl]methylene-dimethyl-ammonium iodide Formula: C18H23IN2O4S MolecularWeight: 490.35569

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=CC1=C(N(C(C1)C(=O)OC)C(=O)OCC2=CC=CC=C2)SC)C.[I-]

Isomeric SMILES

C[N+](=CC1=C(N(C(C1)C(=O)OC)C(=O)OCC2=CC=CC=C2)SC)C.[I-]

InChI

InChI=1S/C18H23N2O4S.HI/c1-19(2)11-14-10-15(17(21)23-3)20(16(14)25-4)18(22)24-12-13-8-6-5-7-9-13;/h5-9,11,15H,10,12H2,1-4H3;1H/q+1;/p-1