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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-cyanophenyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-cyanophenyl)pyrrol-2-yl]methyl]azanium Traditional Name: [1-(2-cyanophenyl)pyrrol-2-yl]methyl-piperonyl-ammonium Formula: C20H18N3O2+ MolecularWeight: 332.37582

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CN3C4=CC=CC=C4C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CN3C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N3O2/c21-11-16-4-1-2-6-18(16)23-9-3-5-17(23)13-22-12-15-7-8-19-20(10-15)25-14-24-19/h1-10,22H,12-14H2/p+1