N-(1,3-benzodioxol-5-yl)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-(4-piperonylpiperazin-1-ium-1-yl)propionamide Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N3O5/c26-22(23-17-2-4-19-21(12-17)30-15-28-19)5-6-24-7-9-25(10-8-24)13-16-1-3-18-20(11-16)29-14-27-18/h1-4,11-12H,5-10,13-15H2,(H,23,26)/p+1