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

Systemtic Name: 1-[2-(2-methoxy-5-methyl-phenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Openeye Name: 1-[2-(2-methoxy-5-methyl-phenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)thiazol-5-yl]ethanone CAS Name: 1-[2-(2-methoxy-5-methylphenyl)imino-4-methyl-3-[3-(4-morpholin-4-iumyl)propyl]-5-thiazolyl]ethanone IUPAC Name: 1-[2-(2-methoxy-5-methylphenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazol-5-yl]ethanone Traditional Name: 1-[2-(2-methoxy-5-methyl-phenyl)imino-4-methyl-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-5-yl]ethanone Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H29N3O3S/c1-15-6-7-19(26-4)18(14-15)22-21-24(16(2)20(28-21)17(3)25)9-5-8-23-10-12-27-13-11-23/h6-7,14H,5,8-13H2,1-4H3/p+1