1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-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)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

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