[azanyl-[[5-(2-methoxy-2-oxidanylidene-ethyl)-2-propoxy-phenyl]methylsulfanyl]methylidene]azanium chloride

Systemtic Name: [azanyl-[[5-(2-methoxy-2-oxidanylidene-ethyl)-2-propoxy-phenyl]methylsulfanyl]methylidene]azanium chloride Openeye Name: [amino-[[5-(2-methoxy-2-oxo-ethyl)-2-propoxy-phenyl]methylsulfanyl]methylene]ammonium chloride CAS Name: [amino-[[5-(2-methoxy-2-oxoethyl)-2-propoxyphenyl]methylthio]methylidene]ammonium chloride IUPAC Name: [amino-[[5-(2-methoxy-2-oxoethyl)-2-propoxyphenyl]methylsulfanyl]methylidene]azanium chloride Traditional Name: [amino-[[5-(2-keto-2-methoxy-ethyl)-2-propoxy-benzyl]thio]methylene]ammonium chloride Formula: C14H21ClN2O3S MolecularWeight: 332.84614

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=[NH2+])N.[Cl-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC(=O)OC)CSC(=[NH2+])N.[Cl-]

InChI

InChI=1S/C14H20N2O3S.ClH/c1-3-6-19-12-5-4-10(8-13(17)18-2)7-11(12)9-20-14(15)16;/h4-5,7H,3,6,8-9H2,1-2H3,(H3,15,16);1H