ethyl 4-[[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(2S)-2-[(4-methoxyphenyl)methyl]-4-morpholin-4-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(2S)-2-p-anisylmorpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C19H26N3O4+ MolecularWeight: 360.42744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCOC(C2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCO[C@H](C2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C19H25N3O4/c1-3-25-19(23)18-15(11-20-21-18)12-22-8-9-26-17(13-22)10-14-4-6-16(24-2)7-5-14/h4-7,11,17H,3,8-10,12-13H2,1-2H3,(H,20,21)/p+1/t17-/m0/s1