(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]ammonium CAS Name: [4-[anilino(oxo)methyl]phenyl]methyl-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[4-(phenylcarbamoyl)benzyl]ammonium Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c1-20-26(21(2)31(29-20)25-12-8-5-9-13-25)19-30(3)18-22-14-16-23(17-15-22)27(32)28-24-10-6-4-7-11-24/h4-17H,18-19H2,1-3H3,(H,28,32)/p+1