(2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(6-methoxy-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:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCC[NH2+]3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C13H15N3O2S/c1-18-8-4-5-9-11(7-8)19-13(15-9)16-12(17)10-3-2-6-14-10/h4-5,7,10,14H,2-3,6H2,1H3,(H,15,16,17)/p+1/t10-/m1/s1