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

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-furancarboxamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-furamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CO4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H23N3O4S/c1-25-15-5-6-18-16(14-15)21-20(28-18)23(19(24)17-4-2-11-27-17)8-3-7-22-9-12-26-13-10-22/h2,4-6,11,14H,3,7-10,12-13H2,1H3/p+1