5-cyclopropyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylpyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-phenyl-pyrazole-3-carboxamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)[NH+]5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4)[NH+]5CCOCC5

InChI

InChI=1S/C26H30N4O3/c1-32-22-11-9-20(10-12-22)25(29-13-15-33-16-14-29)18-27-26(31)24-17-23(19-7-8-19)28-30(24)21-5-3-2-4-6-21/h2-6,9-12,17,19,25H,7-8,13-16,18H2,1H3,(H,27,31)/p+1/t25-/m0/s1