1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C23H26ClN4O+ MolecularWeight: 409.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H25ClN4O/c1-17-21(22(24)28(26-17)20-10-6-3-7-11-20)16-27-14-12-18(13-15-27)23(29)25-19-8-4-2-5-9-19/h2-11,18H,12-16H2,1H3,(H,25,29)/p+1