5-ethanoyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-thiophene-2-carboxamide

Systemtic Name: 5-ethanoyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-thiophene-2-carboxamide CAS Name: 5-acetyl-N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-N-phenethyl-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethylthiophene-2-carboxamide Traditional Name: 5-acetyl-N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-N-phenethyl-thiophene-2-carboxamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C22H28N2O2S/c1-17(25)20-10-11-21(27-20)22(26)24(14-12-18-7-4-3-5-8-18)16-19-9-6-13-23(2)15-19/h3-5,7-8,10-11,19H,6,9,12-16H2,1-2H3/p+1/t19-/m0/s1