[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(2-oxidanylidenepiperidin-1-yl)ethyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(2-oxidanylidenepiperidin-1-yl)ethyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(2-oxo-1-piperidyl)ethyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-[2-(2-oxo-1-piperidinyl)ethyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-[2-(2-oxopiperidin-1-yl)ethyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(2-ketopiperidino)ethyl]ammonium Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCN4CCCCC4=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]CCN4CCCCC4=O

InChI

InChI=1S/C25H30N4O/c1-19-11-12-20(2)23(16-19)29-18-22(25(27-29)21-8-4-3-5-9-21)17-26-13-15-28-14-7-6-10-24(28)30/h3-5,8-9,11-12,16,18,26H,6-7,10,13-15,17H2,1-2H3/p+1