N-(1,3-benzodioxol-5-yl)-1-[(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(6-chloro-2-keto-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H21ClN3O5+ MolecularWeight: 430.86154

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Cl)OC4=O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C5=C(C=C(C=C5)Cl)OC4=O

InChI

InChI=1S/C21H20ClN3O5/c22-14-1-3-16-18(9-14)30-21(27)25(16)11-24-7-5-13(6-8-24)20(26)23-15-2-4-17-19(10-15)29-12-28-17/h1-4,9-10,13H,5-8,11-12H2,(H,23,26)/p+1