2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide

Systemtic Name: 2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide Openeye Name: 2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide CAS Name: 2-[[1-(1,4-dithiepan-6-yl)-4-piperidin-1-iumyl]oxy]-4-methoxy-N-(2-methoxyethyl)benzamide IUPAC Name: 2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide Traditional Name: 2-[1-(1,4-dithiepan-6-yl)piperidin-1-ium-4-yl]oxy-4-methoxy-N-(2-methoxyethyl)benzamide Formula: C21H33N2O4S2+ MolecularWeight: 441.62772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(C=C(C=C1)OC)OC2CC[NH+](CC2)C3CSCCSC3

Isomeric SMILES

COCCNC(=O)C1=C(C=C(C=C1)OC)OC2CC[NH+](CC2)C3CSCCSC3

InChI

InChI=1S/C21H32N2O4S2/c1-25-10-7-22-21(24)19-4-3-18(26-2)13-20(19)27-17-5-8-23(9-6-17)16-14-28-11-12-29-15-16/h3-4,13,16-17H,5-12,14-15H2,1-2H3,(H,22,24)/p+1