1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(piperonylamino)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c26-21(23-13-16-6-7-19-20(12-16)29-15-28-19)14-25-10-8-17(9-11-25)22(27)24-18-4-2-1-3-5-18/h1-7,12,17H,8-11,13-15H2,(H,23,26)(H,24,27)/p+1