(5-ethanoyl-2-methoxy-phenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (5-acetyl-2-methoxyphenyl)methyl-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (5-acetyl-2-methoxy-benzyl)-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-16(25)18-9-10-21(26-3)19(11-18)15-23(2)13-17-12-22-24(14-17)20-7-5-4-6-8-20/h4-12,14H,13,15H2,1-3H3/p+1