N-[[(3R)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(3-ethanoylphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(3-acetylphenyl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(3-acetylphenyl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-(3-acetylbenzyl)piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N2O2S/c1-15(23)18-7-2-5-16(11-18)13-22-9-3-6-17(14-22)12-21-20(24)19-8-4-10-25-19/h2,4-5,7-8,10-11,17H,3,6,9,12-14H2,1H3,(H,21,24)/p+1/t17-/m1/s1