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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1-benzyl-3-phenyl-pyrazol-4-yl)methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)methyl-piperonyl-ammonium Formula: C25H24N3O2+ MolecularWeight: 398.47696

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H23N3O2/c1-3-7-19(8-4-1)16-28-17-22(25(27-28)21-9-5-2-6-10-21)15-26-14-20-11-12-23-24(13-20)30-18-29-23/h1-13,17,26H,14-16,18H2/p+1