6-[4-(phenylmethyl)piperidin-1-yl]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[4-(phenylmethyl)piperidin-1-yl]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-(4-benzyl-1-piperidyl)-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide CAS Name: 6-[4-(phenylmethyl)-1-piperidinyl]-N-(2-pyridinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridin-1-ium-3-sulfonamide Traditional Name: 6-(4-benzylpiperidino)-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=[NH+]C=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=[NH+]C=C(C=C3)S(=O)(=O)NC4=CC=CC=N4

InChI

InChI=1S/C22H24N4O2S/c27-29(28,25-21-8-4-5-13-23-21)20-9-10-22(24-17-20)26-14-11-19(12-15-26)16-18-6-2-1-3-7-18/h1-10,13,17,19H,11-12,14-16H2,(H,23,25)/p+1