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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl)-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-propan-2-yl-azanium Openeye Name: (2-amino-2-oxo-ethyl)-isopropyl-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: (2-amino-2-oxoethyl)-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-propan-2-ylammonium IUPAC Name: (2-amino-2-oxoethyl)-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-propan-2-ylazanium Traditional Name: (2-amino-2-keto-ethyl)-isopropyl-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c1-16(2)25(15-21(23)27)13-18-14-26(19-7-5-4-6-8-19)24-22(18)17-9-11-20(28-3)12-10-17/h4-12,14,16H,13,15H2,1-3H3,(H2,23,27)/p+1