methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(oxan-4-yl)azanium

Systemtic Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(oxan-4-yl)azanium Openeye Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-tetrahydropyran-4-yl-ammonium CAS Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-(4-oxanyl)ammonium IUPAC Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-(oxan-4-yl)azanium Traditional Name: methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-tetrahydropyran-4-yl-ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)C4CCOCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+](C)C4CCOCC4

InChI

InChI=1S/C23H27N3O2/c1-25(20-12-14-27-15-13-20)16-19-17-26(2)24-23(19)18-8-10-22(11-9-18)28-21-6-4-3-5-7-21/h3-11,17,20H,12-16H2,1-2H3/p+1