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

Systemtic Name: [1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C28H35N4O+ MolecularWeight: 443.6037

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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)C(=O)N5CCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH+]4CCC(CC4)C(=O)N5CCCC5

InChI

InChI=1S/C28H34N4O/c1-21-10-11-22(2)26(18-21)32-20-25(27(29-32)23-8-4-3-5-9-23)19-30-16-12-24(13-17-30)28(33)31-14-6-7-15-31/h3-5,8-11,18,20,24H,6-7,12-17,19H2,1-2H3/p+1