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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: (5-phenyl-1H-pyrazol-4-yl)methyl-piperonyl-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=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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