N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-1-propanesulfonamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]propane-1-sulfonamide Formula: C16H28N3O2S+ MolecularWeight: 326.47742

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCCCCCC2

Isomeric SMILES

CCCS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCCCCCC2

InChI

InChI=1S/C16H27N3O2S/c1-2-13-22(20,21)18-14-15-9-8-10-17-16(15)19-11-6-4-3-5-7-12-19/h8-10,18H,2-7,11-14H2,1H3/p+1