[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-oxidanidylpyridin-1-ium-3-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-(1-oxidopyridin-1-ium-3-yl)methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(1-oxido-3-pyridin-1-iumyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-(1-oxidopyridin-1-ium-3-yl)methanone Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C18H17N3O2S/c22-18(14-4-3-9-21(23)12-14)20-10-7-13(8-11-20)17-19-15-5-1-2-6-16(15)24-17/h1-6,9,12-13H,7-8,10-11H2