2-[(4-methoxyphenyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(4-methoxyphenyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-methoxyanilino)-N-(3-morpholin-4-ium-4-ylpropyl)thiazole-4-carboxamide CAS Name: 2-(4-methoxyanilino)-N-[3-(4-morpholin-4-iumyl)propyl]-4-thiazolecarboxamide IUPAC Name: 2-(4-methoxyanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-(p-anisidino)thiazole-4-carboxamide Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H24N4O3S/c1-24-15-5-3-14(4-6-15)20-18-21-16(13-26-18)17(23)19-7-2-8-22-9-11-25-12-10-22/h3-6,13H,2,7-12H2,1H3,(H,19,23)(H,20,21)/p+1