4-(1,3-benzodioxol-5-ylmethyl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)piperazin-4-ium-1-carboxamide Traditional Name: N-(3-keto-4H-1,4-benzoxazin-6-yl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C21H23N4O5+ MolecularWeight: 411.43112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C21H22N4O5/c26-20-12-28-17-4-2-15(10-16(17)23-20)22-21(27)25-7-5-24(6-8-25)11-14-1-3-18-19(9-14)30-13-29-18/h1-4,9-10H,5-8,11-13H2,(H,22,27)(H,23,26)/p+1