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

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(oxan-4-ylmethyl)azanium Openeye Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl-(4-oxanylmethyl)ammonium IUPAC Name: [3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl-(oxan-4-ylmethyl)azanium Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1COCCC1C[NH2+]CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C23H25N3O3/c1-2-4-20(5-3-1)26-15-19(14-24-13-17-8-10-27-11-9-17)23(25-26)18-6-7-21-22(12-18)29-16-28-21/h1-7,12,15,17,24H,8-11,13-14,16H2/p+1