[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylbutyl]azanium

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-[(1R)-1-phenylbutyl]azanium Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-[(1R)-1-phenylbutyl]ammonium CAS Name: [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-[(1R)-1-phenylbutyl]ammonium IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-[(1R)-1-phenylbutyl]azanium Traditional Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]-[(1R)-1-phenylbutyl]ammonium Formula: C23H29N4O+ MolecularWeight: 377.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)[NH2+]CC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4O/c1-4-11-21(19-12-7-5-8-13-19)24-16-22(28)25-23-17(2)26-27(18(23)3)20-14-9-6-10-15-20/h5-10,12-15,21,24H,4,11,16H2,1-3H3,(H,25,28)/p+1/t21-/m1/s1