N-(1,3-benzodioxol-5-yl)-1-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(2-keto-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H22N3O5+ MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C21H21N3O5/c25-20(22-15-5-6-18-19(11-15)28-13-27-18)14-7-9-23(10-8-14)12-24-16-3-1-2-4-17(16)29-21(24)26/h1-6,11,14H,7-10,12-13H2,(H,22,25)/p+1