(2-ethoxy-2-oxidanylidene-ethyl)-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: (2-ethoxy-2-oxo-ethyl)-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: (2-ethoxy-2-oxoethyl)-methyl-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (2-ethoxy-2-oxoethyl)-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: (2-ethoxy-2-keto-ethyl)-methyl-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C[NH+](C)CC1=CN(N=C1C2=CC=C(C=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O3/c1-4-27-21(26)16-24(2)14-18-15-25(3)23-22(18)17-10-12-20(13-11-17)28-19-8-6-5-7-9-19/h5-13,15H,4,14,16H2,1-3H3/p+1