1-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium

Systemtic Name: 1-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium Openeye Name: 1-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium CAS Name: 1-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-1-ium IUPAC Name: 1-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium Traditional Name: 1-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium Formula: C24H36N4O2+2 MolecularWeight: 412.56824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C[NH+]4CCN(CC4)CC[NH+]5CCCC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C[NH+]4CCN(CC4)CC[NH+]5CCCC5

InChI

InChI=1S/C24H34N4O2/c1-19-15-21(20(2)28(19)22-5-6-23-24(16-22)30-18-29-23)17-27-13-11-26(12-14-27)10-9-25-7-3-4-8-25/h5-6,15-16H,3-4,7-14,17-18H2,1-2H3/p+2