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

Systemtic Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-(piperonylamino)ethyl]piperidin-1-ium-4-carboxamide Formula: C16H22N3O4+ MolecularWeight: 320.36358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O4/c17-16(21)12-3-5-19(6-4-12)9-15(20)18-8-11-1-2-13-14(7-11)23-10-22-13/h1-2,7,12H,3-6,8-10H2,(H2,17,21)(H,18,20)/p+1