N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide CAS Name: N-[(2S)-2-(5-methyl-2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(5-methylfuran-2-yl)-2-piperidin-1-ium-1-ylethyl]thiophene-2-carboxamide Traditional Name: N-[(2S)-2-(5-methyl-2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiophene-2-carboxamide Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C2=CC=CS2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(O1)[C@H](CNC(=O)C2=CC=CS2)[NH+]3CCCCC3

InChI

InChI=1S/C17H22N2O2S/c1-13-7-8-15(21-13)14(19-9-3-2-4-10-19)12-18-17(20)16-6-5-11-22-16/h5-8,11,14H,2-4,9-10,12H2,1H3,(H,18,20)/p+1/t14-/m0/s1