1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-fluorophenyl)phenyl]-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxamide Formula: C27H34FN4O+ MolecularWeight: 449.583463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C27H33FN4O/c1-18(2)32-20(4)26(19(3)30-32)17-31-13-11-21(12-14-31)27(33)29-25-10-6-8-23(16-25)22-7-5-9-24(28)15-22/h5-10,15-16,18,21H,11-14,17H2,1-4H3,(H,29,33)/p+1