phenylsulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide

Systemtic Name: phenylsulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Openeye Name: benzenesulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide CAS Name: benzenesulfonyl-[1-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolyl]azanide IUPAC Name: benzenesulfonyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Traditional Name: besyl-[1-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-yl]azanide Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N4O2S/c25-27(26,17-9-3-1-4-10-17)22-20-21-18-11-5-6-12-19(18)24(20)16-15-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-16H2/q-1/p+1