1-(1,4-dithiepan-6-yl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1,4-dithiepan-6-yl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1,4-dithiepan-6-yl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide CAS Name: 1-(1,4-dithiepan-6-yl)-N-(6-phenoxy-3-pyridinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1,4-dithiepan-6-yl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1,4-dithiepan-6-yl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-4-carboxamide Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)C4CSCCSC4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3)C4CSCCSC4

InChI

InChI=1S/C22H27N3O2S2/c26-22(17-8-10-25(11-9-17)19-15-28-12-13-29-16-19)24-18-6-7-21(23-14-18)27-20-4-2-1-3-5-20/h1-7,14,17,19H,8-13,15-16H2,(H,24,26)/p+1