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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Traditional Name: [1-(m-tolyl)pyrrol-2-yl]methyl-piperonyl-ammonium Formula: C20H21N2O2+ MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O2/c1-15-4-2-5-17(10-15)22-9-3-6-18(22)13-21-12-16-7-8-19-20(11-16)24-14-23-19/h2-11,21H,12-14H2,1H3/p+1