1,3-benzodioxol-5-ylmethyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(1H-pyrazol-4-yl)phenyl]methyl]azanium Traditional Name: piperonyl-[3-(1H-pyrazol-4-yl)benzyl]ammonium Formula: C18H18N3O2+ MolecularWeight: 308.35442

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CC(=C3)C4=CNN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=CC(=C3)C4=CNN=C4

InChI

InChI=1S/C18H17N3O2/c1-2-13(6-15(3-1)16-10-20-21-11-16)8-19-9-14-4-5-17-18(7-14)23-12-22-17/h1-7,10-11,19H,8-9,12H2,(H,20,21)/p+1