N-[[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide CAS Name: N-[[(3R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3R)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: N-[[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propionamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)CNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)CNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2S/c1-17(25)21-12-20(16-27-21)15-24-11-5-8-19(14-24)13-23-22(26)10-9-18-6-3-2-4-7-18/h2-4,6-7,12,16,19H,5,8-11,13-15H2,1H3,(H,23,26)/p+1/t19-/m1/s1