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

Systemtic Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrrolidin-1-ium-2-carboxamide Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCC[NH2+]3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCC[NH2+]3

InChI

InChI=1S/C14H17N3O2S/c1-2-19-9-5-6-10-12(8-9)20-14(16-10)17-13(18)11-4-3-7-15-11/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17,18)/p+1/t11-/m1/s1