2-(dimethylaminomethyl)-3-(2-hydroxyethylsulfanyl)-1-(4-nitrophenyl)propan-1-one hydrochloride

Systemtic Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylsulfanyl)-1-(4-nitrophenyl)propan-1-one hydrochloride Openeye Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylsulfanyl)-1-(4-nitrophenyl)propan-1-one hydrochloride CAS Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylthio)-1-(4-nitrophenyl)-1-propanone hydrochloride IUPAC Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylsulfanyl)-1-(4-nitrophenyl)propan-1-one hydrochloride Traditional Name: 2-(dimethylaminomethyl)-3-(2-hydroxyethylthio)-1-(4-nitrophenyl)propan-1-one hydrochloride Formula: C14H21ClN2O4S MolecularWeight: 348.84554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(CSCCO)C(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

Isomeric SMILES

CN(C)CC(CSCCO)C(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl

InChI

InChI=1S/C14H20N2O4S.ClH/c1-15(2)9-12(10-21-8-7-17)14(18)11-3-5-13(6-4-11)16(19)20;/h3-6,12,17H,7-10H2,1-2H3;1H