[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium

Systemtic Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Openeye Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium CAS Name: [3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methyl-[2-(4-oxanyl)ethyl]ammonium IUPAC Name: [3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Traditional Name: [3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium Formula: C25H32N3O2+ MolecularWeight: 406.54048

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1CCOCC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1CCOCC1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2/c1-27(14-11-20-12-15-30-16-13-20)18-22-19-28(23-8-4-3-5-9-23)26-25(22)21-7-6-10-24(17-21)29-2/h3-10,17,19-20H,11-16,18H2,1-2H3/p+1