ethyl 2-[2-(4-ethylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-(4-ethylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(4-ethylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-4-yl]acetate CAS Name: 2-[2-(4-ethylphenyl)imino-3-[3-(4-morpholin-4-iumyl)propyl]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-ethylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(4-ethylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)CC(=O)OCC)CCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)CC(=O)OCC)CCC[NH+]3CCOCC3

InChI

InChI=1S/C22H31N3O3S/c1-3-18-6-8-19(9-7-18)23-22-25(11-5-10-24-12-14-27-15-13-24)20(17-29-22)16-21(26)28-4-2/h6-9,17H,3-5,10-16H2,1-2H3/p+1