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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-chloranylpyridin-3-yl)pyrrol-2-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-chloro-3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[1-(2-chloropyridin-3-yl)pyrrol-2-yl]methyl]azanium Traditional Name: [1-(2-chloro-3-pyridyl)pyrrol-2-yl]methyl-piperonyl-ammonium Formula: C18H17ClN3O2+ MolecularWeight: 342.79948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CN3C4=C(N=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CN3C4=C(N=CC=C4)Cl

InChI

InChI=1S/C18H16ClN3O2/c19-18-15(4-1-7-21-18)22-8-2-3-14(22)11-20-10-13-5-6-16-17(9-13)24-12-23-16/h1-9,20H,10-12H2/p+1