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

Systemtic Name: ethyl 4-[[(2R)-2-(phenylmethyl)morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(2R)-2-benzylmorpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(2R)-2-(phenylmethyl)-4-morpholin-4-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-benzylmorpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(2R)-2-benzylmorpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3/c1-2-23-18(22)17-15(11-19-20-17)12-21-8-9-24-16(13-21)10-14-6-4-3-5-7-14/h3-7,11,16H,2,8-10,12-13H2,1H3,(H,19,20)/p+1/t16-/m1/s1