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

Systemtic Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Openeye Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide CAS Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-thiophenecarboxamide IUPAC Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Traditional Name: N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)thiophene-2-carboxamide Formula: C20H24N3O3S2+ MolecularWeight: 418.55286

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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=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O3S2/c1-25-15-5-6-17-16(14-15)21-20(28-17)23(19(24)18-4-2-13-27-18)8-3-7-22-9-11-26-12-10-22/h2,4-6,13-14H,3,7-12H2,1H3/p+1