N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-3-thiophen-3-yl-propanamide

Systemtic Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-3-thiophen-3-yl-propanamide Openeye Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-3-(3-thienyl)propanamide CAS Name: N-[(3S)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-3-(3-thiophenyl)propanamide IUPAC Name: N-[(3S)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-3-thiophen-3-ylpropanamide Traditional Name: N-[(3S)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-3-(3-thienyl)propionamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)NC(=O)CCC3=CSC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)NC(=O)CCC3=CSC=C3

InChI

InChI=1S/C18H23N3OS/c22-18(7-6-15-8-11-23-14-15)20-17-5-3-10-21(13-17)12-16-4-1-2-9-19-16/h1-2,4,8-9,11,14,17H,3,5-7,10,12-13H2,(H,20,22)/p+1/t17-/m0/s1