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

Systemtic Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidine-1-sulfonamide Openeye Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidine-1-sulfonamide CAS Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-pyridin-1-iumyl]methyl]-1-piperidinesulfonamide IUPAC Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidine-1-sulfonamide Traditional Name: N-[[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]piperidine-1-sulfonamide Formula: C17H31N5O2S+2 MolecularWeight: 369.52534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)CNS(=O)(=O)N3CCCCC3

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=C(C=CC=[NH+]2)CNS(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H29N5O2S/c1-20-9-6-10-21(14-13-20)17-16(7-5-8-18-17)15-19-25(23,24)22-11-3-2-4-12-22/h5,7-8,19H,2-4,6,9-15H2,1H3/p+2