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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl-methyl-(oxan-4-yl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl-methyl-tetrahydropyran-4-yl-ammonium Formula: C24H28N3O3+ MolecularWeight: 406.49742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C5CCOCC5

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4)C5CCOCC5

InChI

InChI=1S/C24H27N3O3/c1-26(21-9-11-28-12-10-21)15-20-16-27(14-18-5-3-2-4-6-18)25-24(20)19-7-8-22-23(13-19)30-17-29-22/h2-8,13,16,21H,9-12,14-15,17H2,1H3/p+1