(3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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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[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C24H28N4O/c1-17-10-11-18(2)22(13-17)28-16-21(23(26-28)19-7-4-3-5-8-19)15-27-12-6-9-20(14-27)24(25)29/h3-5,7-8,10-11,13,16,20H,6,9,12,14-15H2,1-2H3,(H2,25,29)/p+1/t20-/m0/s1