2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[1-(2-oxidanylidene-2-phenylazanyl-ethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-[1-(2-anilino-2-oxo-ethyl)piperidin-1-ium-4-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetamide CAS Name: N-[1-(2-anilino-2-oxoethyl)-4-piperidin-1-iumyl]-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxoacetamide IUPAC Name: N-[1-(2-anilino-2-oxoethyl)piperidin-1-ium-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide Traditional Name: N-[1-(2-anilino-2-keto-ethyl)piperidin-1-ium-4-yl]-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetamide Formula: C26H30N5O3+ MolecularWeight: 460.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NC3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-18-24(19(2)31(29-18)22-11-7-4-8-12-22)25(33)26(34)28-21-13-15-30(16-14-21)17-23(32)27-20-9-5-3-6-10-20/h3-12,21H,13-17H2,1-2H3,(H,27,32)(H,28,34)/p+1