3-[3-(5-chloranyl-2-oxidanylidene-1-piperidin-4-yl-3H-benzimidazol-1-ium-1-yl)propyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[3-(5-chloranyl-2-oxidanylidene-1-piperidin-4-yl-3H-benzimidazol-1-ium-1-yl)propyl]-1,3-benzothiazol-2-one Openeye Name: 3-[3-[5-chloro-2-oxo-1-(4-piperidyl)-3H-benzimidazol-1-ium-1-yl]propyl]-1,3-benzothiazol-2-one CAS Name: 3-[3-[5-chloro-2-oxo-1-(4-piperidinyl)-3H-benzimidazol-1-ium-1-yl]propyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[3-(5-chloro-2-oxo-1-piperidin-4-yl-3H-benzimidazol-1-ium-1-yl)propyl]-1,3-benzothiazol-2-one Traditional Name: 3-[3-[5-chloro-2-keto-1-(4-piperidyl)-3H-benzimidazol-1-ium-1-yl]propyl]-1,3-benzothiazol-2-one Formula: C22H24ClN4O2S+ MolecularWeight: 443.96956

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1[N+]2(C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5SC4=O

Isomeric SMILES

C1CNCCC1[N+]2(C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C22H23ClN4O2S/c23-15-6-7-19-17(14-15)25-21(28)27(19,16-8-10-24-11-9-16)13-3-12-26-18-4-1-2-5-20(18)30-22(26)29/h1-2,4-7,14,16,24H,3,8-13H2/p+1