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

Systemtic Name: ethyl 4-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-phenylimino-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-phenylimino-thiazole-5-carboxylate CAS Name: 4-methyl-3-[2-(4-morpholin-4-iumyl)ethyl]-2-phenylimino-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-phenylimino-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-3-(2-morpholin-4-ium-4-ylethyl)-2-phenylimino-4-thiazoline-5-carboxylic acid ethyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-3-25-18(23)17-15(2)22(10-9-21-11-13-24-14-12-21)19(26-17)20-16-7-5-4-6-8-16/h4-8H,3,9-14H2,1-2H3/p+1