N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-5-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-5-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-5-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-5-isoxazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-1,2-oxazole-5-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)isoxazole-5-carboxamide Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=NO4

Isomeric SMILES

C1COCC[NH+]1CCCN(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=NO4

InChI

InChI=1S/C18H20N4O3S/c23-17(15-6-7-19-25-15)22(9-3-8-21-10-12-24-13-11-21)18-20-14-4-1-2-5-16(14)26-18/h1-2,4-7H,3,8-13H2/p+1