3-[1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-(5-morpholinosulfonylpyridin-1-ium-2-yl)-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-(5-morpholinosulfonylpyridin-1-ium-2-yl)-4-piperidyl]-1H-benzimidazol-2-one Formula: C21H26N5O4S+ MolecularWeight: 444.52724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C4=[NH+]C=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C21H25N5O4S/c27-21-23-18-3-1-2-4-19(18)26(21)16-7-9-24(10-8-16)20-6-5-17(15-22-20)31(28,29)25-11-13-30-14-12-25/h1-6,15-16H,7-14H2,(H,23,27)/p+1