3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one CAS Name: 3-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C5=CC=CC=C5NC4=O

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CN4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C20H20N4OS/c25-20-22-15-5-1-3-7-17(15)24(20)13-23-11-9-14(10-12-23)19-21-16-6-2-4-8-18(16)26-19/h1-8,14H,9-13H2,(H,22,25)/p+1