methyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (2-hydroxy-5-isopropyl-4-methyl-benzyl)-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C22H27N3O/c1-16(2)21-11-19(22(26)10-17(21)3)15-24(4)13-18-12-23-25(14-18)20-8-6-5-7-9-20/h5-12,14,16,26H,13,15H2,1-4H3/p+1