1,3-benzodioxol-5-ylmethyl-[3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[3-(1,3-benzodioxol-5-yl)-4-phenylbutyl]azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-4-phenyl-butyl]-piperonyl-ammonium Formula: C25H26NO4+ MolecularWeight: 404.47824

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC(CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CCC(CC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H25NO4/c1-2-4-18(5-3-1)12-21(20-7-9-23-25(14-20)30-17-28-23)10-11-26-15-19-6-8-22-24(13-19)29-16-27-22/h1-9,13-14,21,26H,10-12,15-17H2/p+1