3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide

Systemtic Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide Openeye Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide CAS Name: 3-[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]-N-(2-methoxyethyl)propanamide IUPAC Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propanamide Traditional Name: 3-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]-N-(2-methoxyethyl)propionamide Formula: C16H31N2O2S2+ MolecularWeight: 347.55954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CCC1CC[NH+](CC1)C2CSCCSC2

Isomeric SMILES

COCCNC(=O)CCC1CC[NH+](CC1)C2CSCCSC2

InChI

InChI=1S/C16H30N2O2S2/c1-20-9-6-17-16(19)3-2-14-4-7-18(8-5-14)15-12-21-10-11-22-13-15/h14-15H,2-13H2,1H3,(H,17,19)/p+1