(3,4-dimethoxyphenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide

Systemtic Name: (3,4-dimethoxyphenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Openeye Name: (3,4-dimethoxyphenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide CAS Name: (3,4-dimethoxyphenyl)sulfonyl-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]azanide IUPAC Name: (3,4-dimethoxyphenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Traditional Name: (3,4-dimethoxyphenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N2CC[NH+]4CCCCC4)OC

InChI

InChI=1S/C22H27N4O4S/c1-29-20-11-10-17(16-21(20)30-2)31(27,28)24-22-23-18-8-4-5-9-19(18)26(22)15-14-25-12-6-3-7-13-25/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3/q-1/p+1