1-[2-(2,5-dimethoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Openeye Name: 1-[2-(2,5-dimethoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-5-yl]ethanone CAS Name: 1-[2-(2,5-dimethoxyphenyl)imino-4-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-5-thiazolyl]ethanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Traditional Name: 1-[2-(2,5-dimethoxyphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-5-yl]ethanone Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-15-20(16(2)25)29-21(22-18-14-17(26-3)6-7-19(18)27-4)24(15)9-5-8-23-10-12-28-13-11-23/h6-7,14H,5,8-13H2,1-4H3/p+1