3-(dimethylamino)propyl 2-phenyl-2-(thian-4-yl)ethaneperoxoate hydrochloride

Systemtic Name: 3-(dimethylamino)propyl 2-phenyl-2-(thian-4-yl)ethaneperoxoate hydrochloride Openeye Name: 3-(dimethylamino)propyl 2-phenyl-2-tetrahydrothiopyran-4-yl-peroxyacetate hydrochloride CAS Name: 2-phenyl-2-(4-thianyl)ethaneperoxoic acid 3-(dimethylamino)propyl ester hydrochloride IUPAC Name: 3-(dimethylamino)propyl 2-phenyl-2-(thian-4-yl)ethaneperoxoate hydrochloride Traditional Name: 2-phenyl-2-tetrahydrothiopyran-4-yl-peracetic acid 3-(dimethylamino)propyl ester hydrochloride Formula: C18H28ClNO3S MolecularWeight: 373.93782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCOOC(=O)C(C1CCSCC1)C2=CC=CC=C2.Cl

Isomeric SMILES

CN(C)CCCOOC(=O)C(C1CCSCC1)C2=CC=CC=C2.Cl

InChI

InChI=1S/C18H27NO3S.ClH/c1-19(2)11-6-12-21-22-18(20)17(15-7-4-3-5-8-15)16-9-13-23-14-10-16;/h3-5,7-8,16-17H,6,9-14H2,1-2H3;1H