1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-18-16-22(29(27-18)21-10-6-3-7-11-21)26-23(30)17-28-14-12-19(13-15-28)24(31)25-20-8-4-2-5-9-20/h2-11,16,19H,12-15,17H2,1H3,(H,25,31)(H,26,30)/p+1