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

Systemtic Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium 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+]4CCC(CC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC(CC4)OC

InChI

InChI=1S/C24H29N3O/c1-18-9-10-19(2)23(15-18)27-17-21(16-26-13-11-22(28-3)12-14-26)24(25-27)20-7-5-4-6-8-20/h4-10,15,17,22H,11-14,16H2,1-3H3/p+1