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

Systemtic Name: [3,4-dimethyl-2-(phenethylamino)-1,3-thiazol-3-ium-5-yl] propanoate Openeye Name: [3,4-dimethyl-2-(phenethylamino)thiazol-3-ium-5-yl] propanoate CAS Name: propanoic acid [3,4-dimethyl-2-(phenethylamino)-5-thiazol-3-iumyl] ester IUPAC Name: [3,4-dimethyl-2-(phenethylamino)-1,3-thiazol-3-ium-5-yl] propanoate Traditional Name: propionic acid [3,4-dimethyl-2-(phenethylamino)thiazol-3-ium-5-yl] ester Formula: C16H21N2O2S+ MolecularWeight: 305.41514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O2S/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/p+1