ethyl 1-(1,4-dithiepan-6-yl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1,4-dithiepan-6-yl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1,4-dithiepan-6-yl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-(1,4-dithiepan-6-yl)-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,4-dithiepan-6-yl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(1,4-dithiepan-6-yl)-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C16H30NO3S2+ MolecularWeight: 348.5443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)C2CSCCSC2)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)C2CSCCSC2)CCOC

InChI

InChI=1S/C16H29NO3S2/c1-3-20-15(18)16(6-9-19-2)4-7-17(8-5-16)14-12-21-10-11-22-13-14/h14H,3-13H2,1-2H3/p+1