N-[[(3R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Openeye Name: N-[[(3R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide CAS Name: N-[[(3R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[(3R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Traditional Name: N-[[(3R)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]thiophene-2-carboxamide Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCCC(C3)CNC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C20H24N2O4S/c1-24-16-8-15(9-17-19(16)26-13-25-17)12-22-6-2-4-14(11-22)10-21-20(23)18-5-3-7-27-18/h3,5,7-9,14H,2,4,6,10-13H2,1H3,(H,21,23)/p+1/t14-/m1/s1