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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-furylmethylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-furanylmethylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-(2-furfurylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C20H24N3O5+ MolecularWeight: 386.42166

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H23N3O5/c24-19(21-11-16-2-1-9-26-16)12-23-7-5-14(6-8-23)20(25)22-15-3-4-17-18(10-15)28-13-27-17/h1-4,9-10,14H,5-8,11-13H2,(H,21,24)(H,22,25)/p+1