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

Systemtic Name: 2-[(3,4-dichlorophenyl)amino]-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dichloroanilino)-N-(3-morpholin-4-ium-4-ylpropyl)thiazole-4-carboxamide CAS Name: 2-(3,4-dichloroanilino)-N-[3-(4-morpholin-4-iumyl)propyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dichloroanilino)-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dichloroanilino)-N-(3-morpholin-4-ium-4-ylpropyl)thiazole-4-carboxamide Formula: C17H21Cl2N4O2S+ MolecularWeight: 416.34524

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CSC(=N2)NC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CSC(=N2)NC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H20Cl2N4O2S/c18-13-3-2-12(10-14(13)19)21-17-22-15(11-26-17)16(24)20-4-1-5-23-6-8-25-9-7-23/h2-3,10-11H,1,4-9H2,(H,20,24)(H,21,22)/p+1