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

Systemtic Name: 3-[3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazin-1-iumyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-ium-1-yl]propyl]-1H-benzimidazol-2-one Formula: C23H31N6O4S+ MolecularWeight: 487.59504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3NC2=O)C4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3NC2=O)C4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C23H30N6O4S/c30-23-25-20-4-1-2-5-21(20)29(23)9-3-8-26-10-12-27(13-11-26)22-7-6-19(18-24-22)34(31,32)28-14-16-33-17-15-28/h1-2,4-7,18H,3,8-17H2,(H,25,30)/p+1