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

Systemtic Name: (2-ethoxy-2-oxidanylidene-ethyl)-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-azanium Openeye Name: (2-ethoxy-2-oxo-ethyl)-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-methyl-ammonium CAS Name: (2-ethoxy-2-oxoethyl)-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-methylammonium IUPAC Name: (2-ethoxy-2-oxoethyl)-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-methylazanium Traditional Name: (2-ethoxy-2-keto-ethyl)-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-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(=CC=C2)OC)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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