cyclohexyl-[[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]phenyl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[2-[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]-methylazanium Traditional Name: cyclohexyl-[2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]benzyl]-methyl-ammonium Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

InChI

InChI=1S/C27H34N4O/c1-20-25(21(2)31(29-20)24-15-8-5-9-16-24)18-27(32)28-26-17-11-10-12-22(26)19-30(3)23-13-6-4-7-14-23/h5,8-12,15-17,23H,4,6-7,13-14,18-19H2,1-3H3,(H,28,32)/p+1