5-ethanoyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide

Systemtic Name: 5-ethanoyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide Openeye Name: 5-acetyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide CAS Name: 5-acetyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide Traditional Name: 5-acetyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]thiophene-3-carboxamide Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S/c1-15(23)19-12-17(14-25-19)20(24)21-18-8-5-10-22(13-18)11-9-16-6-3-2-4-7-16/h2-4,6-7,12,14,18H,5,8-11,13H2,1H3,(H,21,24)/p+1/t18-/m0/s1