6-methoxy-N-[(3R)-1-oxidanidyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2-benzothiazole-3-carboxamide

Systemtic Name: 6-methoxy-N-[(3R)-1-oxidanidyl-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2-benzothiazole-3-carboxamide Openeye Name: 6-methoxy-N-[(3R)-1-oxidoquinuclidin-1-ium-3-yl]-1,2-benzothiazole-3-carboxamide CAS Name: 6-methoxy-N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2-benzothiazole-3-carboxamide IUPAC Name: 6-methoxy-N-[(3R)-1-oxido-1-azoniabicyclo[2.2.2]octan-3-yl]-1,2-benzothiazole-3-carboxamide Traditional Name: 6-methoxy-N-[(3R)-1-oxidoquinuclidin-1-ium-3-yl]-1,2-benzothiazole-3-carboxamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=NS2)C(=O)NC3C[N+]4(CCC3CC4)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(=NS2)C(=O)N[C@H]3C[N+]4(CCC3CC4)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-22-11-2-3-12-14(8-11)23-18-15(12)16(20)17-13-9-19(21)6-4-10(13)5-7-19/h2-3,8,10,13H,4-7,9H2,1H3,(H,17,20)/t10?,13-,19?/m0/s1