1,3-benzodioxol-5-ylmethyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: [1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl-piperonyl-ammonium Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H20N4O2/c1-13-8-14(2)22-19(21-13)23-7-3-4-16(23)11-20-10-15-5-6-17-18(9-15)25-12-24-17/h3-9,20H,10-12H2,1-2H3/p+1