N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]azepane-1-sulfonamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]azepane-1-sulfonamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]azepane-1-sulfonamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-azepanesulfonamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]azepane-1-sulfonamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]azepane-1-sulfonamide Formula: C16H27N4O3S+ MolecularWeight: 355.47558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C16H26N4O3S/c21-24(22,20-7-3-1-2-4-8-20)18-14-15-5-6-16(17-13-15)19-9-11-23-12-10-19/h5-6,13,18H,1-4,7-12,14H2/p+1