(3S)-1-[(5-chloranylthiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(5-chloranylthiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(5-chloro-2-thienyl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(5-chloro-2-thiophenyl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(5-chloro-2-thienyl)methyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C22H23ClN3O2S+ MolecularWeight: 428.95492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(S2)Cl)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(S2)Cl)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C22H22ClN3O2S/c23-21-10-9-18(29-21)15-26-12-4-5-16(14-26)22(27)25-19-7-1-2-8-20(19)28-17-6-3-11-24-13-17/h1-3,6-11,13,16H,4-5,12,14-15H2,(H,25,27)/p+1/t16-/m0/s1