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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-cyclohexylphenyl)-1-methyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(4-cyclohexylphenyl)-1-methylpyrazol-4-yl]methyl]azanium Traditional Name: [3-(4-cyclohexylphenyl)-1-methyl-pyrazol-4-yl]methyl-piperonyl-ammonium Formula: C25H30N3O2+ MolecularWeight: 404.5246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)C3CCCCC3)C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O2/c1-28-16-22(15-26-14-18-7-12-23-24(13-18)30-17-29-23)25(27-28)21-10-8-20(9-11-21)19-5-3-2-4-6-19/h7-13,16,19,26H,2-6,14-15,17H2,1H3/p+1