2-[2-[2-(2-morpholin-4-ium-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[2-(2-morpholin-4-ium-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[2-(2-morpholin-4-ium-4-ylethoxy)-1-naphthyl]thiazol-4-yl]acetate CAS Name: 2-[2-[2-[2-(4-morpholin-4-iumyl)ethoxy]-1-naphthalenyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[2-(2-morpholin-4-ium-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[2-(2-morpholin-4-ium-4-ylethoxy)-1-naphthyl]thiazol-4-yl]acetate Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCOC2=C(C3=CC=CC=C3C=C2)C4=NC(=CS4)CC(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCOC2=C(C3=CC=CC=C3C=C2)C4=NC(=CS4)CC(=O)[O-]

InChI

InChI=1S/C21H22N2O4S/c24-19(25)13-16-14-28-21(22-16)20-17-4-2-1-3-15(17)5-6-18(20)27-12-9-23-7-10-26-11-8-23/h1-6,14H,7-13H2,(H,24,25)