[[4-(dimethylamino)-3-methyl-phenyl]-methoxycarbonylsulfanyl-methyl-azaniumyl]methanoate

Systemtic Name: [[4-(dimethylamino)-3-methyl-phenyl]-methoxycarbonylsulfanyl-methyl-azaniumyl]methanoate Openeye Name: [[4-(dimethylamino)-3-methyl-phenyl]-methoxycarbonylsulfanyl-methyl-ammonio]formate CAS Name: [[4-(dimethylamino)-3-methylphenyl]-(methoxycarbonylthio)-methylammonio]formate IUPAC Name: [[4-(dimethylamino)-3-methylphenyl]-methoxycarbonylsulfanyl-methylazaniumyl]formate Traditional Name: [(carbomethoxythio)-[4-(dimethylamino)-3-methyl-phenyl]-methyl-ammonio]formate Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](C)(C(=O)[O-])SC(=O)OC)N(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](C)(C(=O)[O-])SC(=O)OC)N(C)C

InChI

InChI=1S/C13H18N2O4S/c1-9-8-10(6-7-11(9)14(2)3)15(4,12(16)17)20-13(18)19-5/h6-8H,1-5H3