ethyl 2-[(3S)-4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]morpholin-4-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S)-4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]morpholin-4-ium-3-yl]ethanoate Openeye Name: ethyl 2-[(3S)-4-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium-3-yl]acetate CAS Name: 2-[(3S)-4-[[5-(1-naphthalenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S)-4-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]morpholin-4-ium-3-yl]acetate Traditional Name: 2-[(3S)-4-[[5-(1-naphthyl)-1H-pyrazol-4-yl]methyl]morpholin-4-ium-3-yl]acetic acid ethyl ester Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1COCC[NH+]1CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C[C@H]1COCC[NH+]1CC2=C(NN=C2)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3/c1-2-28-21(26)12-18-15-27-11-10-25(18)14-17-13-23-24-22(17)20-9-5-7-16-6-3-4-8-19(16)20/h3-9,13,18H,2,10-12,14-15H2,1H3,(H,23,24)/p+1/t18-/m0/s1