2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]acetamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)N[C@H](C[NH+]3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c1-19-23(20(2)29(27-19)22-11-7-4-8-12-22)17-25(30)26-24(21-9-5-3-6-10-21)18-28-13-15-31-16-14-28/h3-12,24H,13-18H2,1-2H3,(H,26,30)/p+1/t24-/m1/s1