5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)pyridin-1-ium-2-amine

Systemtic Name: 5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)pyridin-1-ium-2-amine Openeye Name: 5-(1-piperidylsulfonyl)-N-(2-pyridylmethyl)pyridin-1-ium-2-amine CAS Name: 5-(1-piperidinylsulfonyl)-N-(2-pyridinylmethyl)-2-pyridin-1-iumamine IUPAC Name: 5-piperidin-1-ylsulfonyl-N-(pyridin-2-ylmethyl)pyridin-1-ium-2-amine Traditional Name: (5-piperidinosulfonylpyridin-1-ium-2-yl)-(2-pyridylmethyl)amine Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=N3

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=N3

InChI

InChI=1S/C16H20N4O2S/c21-23(22,20-10-4-1-5-11-20)15-7-8-16(19-13-15)18-12-14-6-2-3-9-17-14/h2-3,6-9,13H,1,4-5,10-12H2,(H,18,19)/p+1