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

Systemtic Name: ethyl 2-[2-(4-methylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[3-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolylimino)thiazol-4-yl]acetate CAS Name: 2-[2-(4-methylphenyl)imino-3-[3-(4-morpholin-4-iumyl)propyl]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[3-(3-morpholin-4-ium-4-ylpropyl)-2-(p-tolylimino)-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=NC2=CC=C(C=C2)C)N1CCC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)CC1=CSC(=NC2=CC=C(C=C2)C)N1CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O3S/c1-3-27-20(25)15-19-16-28-21(22-18-7-5-17(2)6-8-18)24(19)10-4-9-23-11-13-26-14-12-23/h5-8,16H,3-4,9-15H2,1-2H3/p+1