(6-chloranyl-1,3-benzodioxol-5-yl)methyl-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]azanium

Systemtic Name: (6-chloranyl-1,3-benzodioxol-5-yl)methyl-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]azanium Openeye Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[[2-(2-methylphenoxy)-3-pyridyl]methyl]ammonium CAS Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]ammonium IUPAC Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]azanium Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)methyl-[[2-(2-methylphenoxy)-3-pyridyl]methyl]ammonium Formula: C21H20ClN2O3+ MolecularWeight: 383.8481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C=CC=N2)C[NH2+]CC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C=CC=N2)C[NH2+]CC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H19ClN2O3/c1-14-5-2-3-7-18(14)27-21-15(6-4-8-24-21)11-23-12-16-9-19-20(10-17(16)22)26-13-25-19/h2-10,23H,11-13H2,1H3/p+1