[3,4-dimethyl-2-(phenethylamino)-1,3-thiazol-3-ium-5-yl] propanoate chloride

Systemtic Name: [3,4-dimethyl-2-(phenethylamino)-1,3-thiazol-3-ium-5-yl] propanoate chloride Openeye Name: [3,4-dimethyl-2-(phenethylamino)thiazol-3-ium-5-yl] propanoate chloride CAS Name: propanoic acid [3,4-dimethyl-2-(phenethylamino)-5-thiazol-3-iumyl] ester chloride IUPAC Name: [3,4-dimethyl-2-(phenethylamino)-1,3-thiazol-3-ium-5-yl] propanoate chloride Traditional Name: propionic acid [3,4-dimethyl-2-(phenethylamino)thiazol-3-ium-5-yl] ester chloride Formula: C16H21ClN2O2S MolecularWeight: 340.86814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C([N+](=C(S1)NCCC2=CC=CC=C2)C)C.[Cl-]

Isomeric SMILES

CCC(=O)OC1=C([N+](=C(S1)NCCC2=CC=CC=C2)C)C.[Cl-]

InChI

InChI=1S/C16H20N2O2S.ClH/c1-4-14(19)20-15-12(2)18(3)16(21-15)17-11-10-13-8-6-5-7-9-13;/h5-9H,4,10-11H2,1-3H3;1H