N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-furancarboxamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-furamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H25N3O4S/c1-2-27-16-6-7-17-19(15-16)29-21(22-17)24(20(25)18-5-3-12-28-18)9-4-8-23-10-13-26-14-11-23/h3,5-7,12,15H,2,4,8-11,13-14H2,1H3/p+1