methyl 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate

Systemtic Name: methyl 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-1-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]-3-oxo-piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-1-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-1-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]-3-oxopiperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+]3CCNC(=O)[C@H]3CC(=O)OC

InChI

InChI=1S/C16H19N3O4S/c1-10-12(18-16(23-10)11-3-6-24-9-11)8-19-5-4-17-15(21)13(19)7-14(20)22-2/h3,6,9,13H,4-5,7-8H2,1-2H3,(H,17,21)/p+1/t13-/m1/s1