(4-bromophenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide

Systemtic Name: (4-bromophenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Openeye Name: (4-bromophenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide CAS Name: (4-bromophenyl)sulfonyl-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]azanide IUPAC Name: (4-bromophenyl)sulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Traditional Name: brosyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Formula: C20H23BrN4O2S MolecularWeight: 463.39122

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H22BrN4O2S/c21-16-8-10-17(11-9-16)28(26,27)23-20-22-18-6-2-3-7-19(18)25(20)15-14-24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-15H2/q-1/p+1