(2R,4S)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R,4S)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R,4S)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R,4S)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R,4S)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R,4S)-4-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3C[C@@H](C[NH2+]3)O

InChI

InChI=1S/C13H15N3O2S/c1-7-2-3-9-11(4-7)19-13(15-9)16-12(18)10-5-8(17)6-14-10/h2-4,8,10,14,17H,5-6H2,1H3,(H,15,16,18)/p+1/t8-,10+/m0/s1