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

Systemtic Name: ethyl 4-[[(2R)-2-(naphthalen-1-ylmethyl)morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[(2R)-2-(1-naphthylmethyl)morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[(2R)-2-(1-naphthalenylmethyl)-4-morpholin-4-iumyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-(naphthalen-1-ylmethyl)morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[(2R)-2-(1-naphthylmethyl)morpholin-4-ium-4-yl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C22H26N3O3+ MolecularWeight: 380.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)C[NH+]2CCOC(C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)C[NH+]2CCO[C@@H](C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3/c1-2-27-22(26)21-18(13-23-24-21)14-25-10-11-28-19(15-25)12-17-8-5-7-16-6-3-4-9-20(16)17/h3-9,13,19H,2,10-12,14-15H2,1H3,(H,23,24)/p+1/t19-/m1/s1