N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

Systemtic Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Openeye Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide CAS Name: N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide IUPAC Name: N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide Traditional Name: N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-17-7-9-19(10-8-17)22(16-27-11-13-29-14-12-27)24-23(28)21-15-20(25-26-21)18-5-3-2-4-6-18/h2-10,15,22H,11-14,16H2,1H3,(H,24,28)(H,25,26)/p+1/t22-/m0/s1