(4-acetamidophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]azanium Traditional Name: (4-acetamidobenzyl)-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)NC(=O)C

InChI

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