N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=N2)NC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C14H15N3O2S/c1-9-4-5-11-12(7-9)20-14(15-11)16-13(18)10-3-2-6-17(19)8-10/h2-3,6,8-9H,4-5,7H2,1H3,(H,15,16,18)/t9-/m0/s1