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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C14H17N3O2S/c1-19-10-4-5-11-12(8-10)20-14(15-11)16-13(18)9-17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16,18)/p+1