6-[(3S)-3-methylpiperidin-1-yl]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3S)-3-methylpiperidin-1-yl]-N-pyridin-2-yl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3S)-3-methyl-1-piperidyl]-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3S)-3-methyl-1-piperidinyl]-N-(2-pyridinyl)-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3S)-3-methylpiperidin-1-yl]-N-pyridin-2-ylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3S)-3-methylpiperidino]-N-(2-pyridyl)pyridin-1-ium-3-sulfonamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

Isomeric SMILES

C[C@H]1CCCN(C1)C2=[NH+]C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3

InChI

InChI=1S/C16H20N4O2S/c1-13-5-4-10-20(12-13)16-8-7-14(11-18-16)23(21,22)19-15-6-2-3-9-17-15/h2-3,6-9,11,13H,4-5,10,12H2,1H3,(H,17,19)/p+1/t13-/m0/s1