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

Systemtic Name: [(3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]methanol Formula: C24H30N3O+ MolecularWeight: 376.5145

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O/c1-18-10-11-19(2)23(13-18)27-16-22(15-26-12-6-7-20(14-26)17-28)24(25-27)21-8-4-3-5-9-21/h3-5,8-11,13,16,20,28H,6-7,12,14-15,17H2,1-2H3/p+1/t20-/m0/s1