1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]-4-piperonyl-piperazin-1-ium Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=C(N=CC=C3)Cl)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=C(N=CC=C3)Cl)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23ClN4O2/c23-22-19(4-1-7-24-22)27-8-2-3-18(27)15-26-11-9-25(10-12-26)14-17-5-6-20-21(13-17)29-16-28-20/h1-8,13H,9-12,14-16H2/p+1