5-ethanoyl-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]thiophene-3-carboxamide

Systemtic Name: 5-ethanoyl-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]thiophene-3-carboxamide Openeye Name: 5-acetyl-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]thiophene-3-carboxamide CAS Name: 5-acetyl-N-[(3S)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-3-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-yl]thiophene-3-carboxamide Traditional Name: 5-acetyl-N-[(3S)-1-m-anisylpiperidin-1-ium-3-yl]thiophene-3-carboxamide Formula: C20H25N2O3S+ MolecularWeight: 373.4891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)NC2CCC[NH+](C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24N2O3S/c1-14(23)19-10-16(13-26-19)20(24)21-17-6-4-8-22(12-17)11-15-5-3-7-18(9-15)25-2/h3,5,7,9-10,13,17H,4,6,8,11-12H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1