5-ethanoyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-ethanoyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide CAS Name: 5-acetyl-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: 5-acetyl-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]thiophene-2-carboxamide Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C20H24N2O2S/c1-15(23)18-9-10-19(25-18)20(24)21-13-16-5-7-17(8-6-16)14-22-11-3-2-4-12-22/h5-10H,2-4,11-14H2,1H3,(H,21,24)/p+1