N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C20H22N3O5+ MolecularWeight: 384.40578

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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)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N3O5/c24-20(21-15-2-4-17-19(10-15)28-13-26-17)23-7-5-22(6-8-23)11-14-1-3-16-18(9-14)27-12-25-16/h1-4,9-10H,5-8,11-13H2,(H,21,24)/p+1