ethyl 4-methyl-2-(4-methylphenyl)imino-3-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(4-methylphenyl)imino-3-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-(p-tolylimino)thiazole-5-carboxylate CAS Name: 4-methyl-2-(4-methylphenyl)imino-3-[2-(4-morpholin-4-iumyl)ethyl]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(4-methylphenyl)imino-3-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-(p-tolylimino)-4-thiazoline-5-carboxylic acid ethyl ester Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC2=CC=C(C=C2)C)S1)CC[NH+]3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC2=CC=C(C=C2)C)S1)CC[NH+]3CCOCC3)C

InChI

InChI=1S/C20H27N3O3S/c1-4-26-19(24)18-16(3)23(10-9-22-11-13-25-14-12-22)20(27-18)21-17-7-5-15(2)6-8-17/h5-8H,4,9-14H2,1-3H3/p+1