N-[[(3R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C19H22ClN2O3S+ MolecularWeight: 393.90758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=C(C=C2Cl)OCO3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C19H21ClN2O3S/c20-15-8-17-16(24-12-25-17)7-14(15)11-22-5-1-3-13(10-22)9-21-19(23)18-4-2-6-26-18/h2,4,6-8,13H,1,3,5,9-12H2,(H,21,23)/p+1/t13-/m1/s1