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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C21H22N5O4+ MolecularWeight: 408.43048

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H21N5O4/c27-20(22-15-5-6-18-19(11-15)30-13-29-18)14-7-9-25(10-8-14)12-26-21(28)16-3-1-2-4-17(16)23-24-26/h1-6,11,14H,7-10,12-13H2,(H,22,27)/p+1