N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]propane-1-sulfonamide

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]propane-1-sulfonamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]propane-1-sulfonamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridinyl]methyl]-1-propanesulfonamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-3-yl]methyl]propane-1-sulfonamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridyl]methyl]propane-1-sulfonamide Formula: C15H27N4O2S+ MolecularWeight: 327.46548

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC1=C(N=CC=C1)N2CCC[NH+](CC2)C

Isomeric SMILES

CCCS(=O)(=O)NCC1=C(N=CC=C1)N2CCC[NH+](CC2)C

InChI

InChI=1S/C15H26N4O2S/c1-3-12-22(20,21)17-13-14-6-4-7-16-15(14)19-9-5-8-18(2)10-11-19/h4,6-7,17H,3,5,8-13H2,1-2H3/p+1