N-[[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide CAS Name: N-[[(3R)-1-(1-benzothiophen-2-ylmethyl)-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3R)-1-(1-benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: N-[[(3R)-1-(benzothiophen-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-phenyl-propionamide Formula: C24H29N2OS+ MolecularWeight: 393.56486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3S2)CNC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3S2)CNC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H28N2OS/c27-24(13-12-19-7-2-1-3-8-19)25-16-20-9-6-14-26(17-20)18-22-15-21-10-4-5-11-23(21)28-22/h1-5,7-8,10-11,15,20H,6,9,12-14,16-18H2,(H,25,27)/p+1/t20-/m1/s1