2-hydroxyethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-oxazol-4-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: 2-hydroxyethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-4-oxazolyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 2-hydroxyethyl-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(4-carbomethoxyphenyl)-5-methyl-oxazol-4-yl]methyl-(2-hydroxyethyl)-(2-thenyl)ammonium Formula: C20H23N2O4S+ MolecularWeight: 387.47262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+](CCO)CC3=CC=CS3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)C(=O)OC)C[NH+](CCO)CC3=CC=CS3

InChI

InChI=1S/C20H22N2O4S/c1-14-18(13-22(9-10-23)12-17-4-3-11-27-17)21-19(26-14)15-5-7-16(8-6-15)20(24)25-2/h3-8,11,23H,9-10,12-13H2,1-2H3/p+1