(3S)-1-(1,4-dithiepan-6-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1,4-dithiepan-6-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1,4-dithiepan-6-yl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1,4-dithiepan-6-yl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1,4-dithiepan-6-yl)-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1,4-dithiepan-6-yl)-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H28N3O2S2+ MolecularWeight: 430.60662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CSCCSC2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CSCCSC2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C22H27N3O2S2/c26-22(17-5-4-10-25(14-17)18-15-28-11-12-29-16-18)24-20-7-1-2-8-21(20)27-19-6-3-9-23-13-19/h1-3,6-9,13,17-18H,4-5,10-12,14-16H2,(H,24,26)/p+1/t17-/m0/s1