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

Systemtic Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Openeye Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium CAS Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium IUPAC Name: 1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Traditional Name: 1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Formula: C26H34N3O2+ MolecularWeight: 420.56706

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2/c1-20-9-10-21(2)25(17-20)29-19-23(26(27-29)22-7-5-4-6-8-22)18-28-13-11-24(12-14-28)31-16-15-30-3/h4-10,17,19,24H,11-16,18H2,1-3H3/p+1