2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-propan-2-yl-azanium

Systemtic Name: 2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-propan-2-yl-azanium Openeye Name: 2-hydroxyethyl-isopropyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-propan-2-ylammonium IUPAC Name: 2-hydroxyethyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-propan-2-ylazanium Traditional Name: 2-hydroxyethyl-isopropyl-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCO)CC1=C(NN=C1)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+](CCO)CC1=C(NN=C1)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O/c1-16(2)24(12-13-25)15-20-14-22-23-21(20)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-11,14,16,25H,12-13,15H2,1-2H3,(H,22,23)/p+1