5-[(3S)-1,2-dithiolan-3-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pentanamide

Systemtic Name: 5-[(3S)-1,2-dithiolan-3-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pentanamide Openeye Name: 5-[(3S)-dithiolan-3-yl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pentanamide CAS Name: 5-[(3S)-3-dithiolanyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]pentanamide IUPAC Name: 5-[(3S)-dithiolan-3-yl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pentanamide Traditional Name: 5-[(3S)-dithiolan-3-yl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]valeramide Formula: C18H28N3O2S2+ MolecularWeight: 382.56382

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

Isomeric SMILES

C1CSS[C@H]1CCCCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H27N3O2S2/c22-18(4-2-1-3-16-7-12-24-25-16)20-14-15-5-6-17(19-13-15)21-8-10-23-11-9-21/h5-6,13,16H,1-4,7-12,14H2,(H,20,22)/p+1/t16-/m0/s1