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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyphenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]azanium Traditional Name: [1-(2-methoxyphenyl)pyrrol-2-yl]methyl-piperonyl-ammonium Formula: C20H21N2O3+ MolecularWeight: 337.39234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=CC=C2C[NH2+]CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1N2C=CC=C2C[NH2+]CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O3/c1-23-18-7-3-2-6-17(18)22-10-4-5-16(22)13-21-12-15-8-9-19-20(11-15)25-14-24-19/h2-11,21H,12-14H2,1H3/p+1