2-acetamidoethyl-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCNC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCNC(=O)C

InChI

InChI=1S/C22H26N4O/c1-16-9-10-17(2)21(13-16)26-15-20(14-23-11-12-24-18(3)27)22(25-26)19-7-5-4-6-8-19/h4-10,13,15,23H,11-12,14H2,1-3H3,(H,24,27)/p+1