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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=CC=C1N=C2N(C(=C(S2)C(=O)C)C)CCC[NH+]3CCOCC3

InChI

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