[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(2R)-3-ethoxy-2-oxidanyl-propyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(2R)-3-ethoxy-2-oxidanyl-propyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(2R)-3-ethoxy-2-hydroxy-propyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-[(2R)-3-ethoxy-2-hydroxypropyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-[(2R)-3-ethoxy-2-hydroxypropyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[(2R)-3-ethoxy-2-hydroxy-propyl]ammonium Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C[NH2+]CC1=CN(N=C1C2=CC=CC=C2)C3=C(C=CC(=C3)C)C)O

Isomeric SMILES

CCOC[C@@H](C[NH2+]CC1=CN(N=C1C2=CC=CC=C2)C3=C(C=CC(=C3)C)C)O

InChI

InChI=1S/C23H29N3O2/c1-4-28-16-21(27)14-24-13-20-15-26(22-12-17(2)10-11-18(22)3)25-23(20)19-8-6-5-7-9-19/h5-12,15,21,24,27H,4,13-14,16H2,1-3H3/p+1/t21-/m1/s1