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

Systemtic Name: ethyl 2-[2-(3-methoxyphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-(3-methoxyphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-methoxyphenyl)imino-3-[3-(4-morpholin-4-iumyl)propyl]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-methoxyphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(3-methoxyphenyl)imino-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-4-yl]acetic acid ethyl ester Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-3-28-20(25)15-18-16-29-21(22-17-6-4-7-19(14-17)26-2)24(18)9-5-8-23-10-12-27-13-11-23/h4,6-7,14,16H,3,5,8-13,15H2,1-2H3/p+1