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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-(4-oxanylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-methyl-(oxan-4-ylmethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C25H30N3O3+ MolecularWeight: 420.524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCOCC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C[NH+](CC1CCOCC1)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H29N3O3/c1-27(14-20-9-11-29-12-10-20)16-22-17-28(15-19-5-3-2-4-6-19)26-25(22)21-7-8-23-24(13-21)31-18-30-23/h2-8,13,17,20H,9-12,14-16,18H2,1H3/p+1