1-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H22N2O4/c23-17-11-19-18(25-13-26-19)10-15(17)12-22-8-6-14(7-9-22)20(24)21-16-4-2-1-3-5-16/h1-5,10-11,14,23H,6-9,12-13H2,(H,21,24)/p+1