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

Systemtic Name: 3-[(3R)-1-[(5-ethanoylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide Openeye Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide CAS Name: 3-[(3R)-1-[(5-acetyl-3-thiophenyl)methyl]-3-piperidin-1-iumyl]-N-[(3-methoxyphenyl)methyl]propanamide IUPAC Name: 3-[(3R)-1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide Traditional Name: 3-[(3R)-1-[(5-acetyl-3-thienyl)methyl]piperidin-1-ium-3-yl]-N-m-anisyl-propionamide Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C[NH+]2CCCC(C2)CCC(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C[NH+]2CCC[C@@H](C2)CCC(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H30N2O3S/c1-17(26)22-12-20(16-29-22)15-25-10-4-6-18(14-25)8-9-23(27)24-13-19-5-3-7-21(11-19)28-2/h3,5,7,11-12,16,18H,4,6,8-10,13-15H2,1-2H3,(H,24,27)/p+1/t18-/m1/s1