N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[[3-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(3-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[3-(cyclopentoxy)benzyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C23H31N2O2S+ MolecularWeight: 399.56944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2)C[NH+]3CCCC(C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N2O2S/c26-23(22-11-5-13-28-22)24-15-19-7-4-12-25(17-19)16-18-6-3-10-21(14-18)27-20-8-1-2-9-20/h3,5-6,10-11,13-14,19-20H,1-2,4,7-9,12,15-17H2,(H,24,26)/p+1/t19-/m1/s1