2-(phenylmethyl)sulfonyl-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole

Systemtic Name: 2-(phenylmethyl)sulfonyl-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Openeye Name: 2-benzylsulfonyl-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole CAS Name: 2-(phenylmethyl)sulfonyl-1-[2-(1-piperidin-1-iumyl)ethyl]benzimidazole IUPAC Name: 2-benzylsulfonyl-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Traditional Name: 2-benzylsulfonyl-1-(2-piperidin-1-ium-1-ylethyl)benzimidazole Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N=C2S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O2S/c25-27(26,17-18-9-3-1-4-10-18)21-22-19-11-5-6-12-20(19)24(21)16-15-23-13-7-2-8-14-23/h1,3-6,9-12H,2,7-8,13-17H2/p+1