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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-furancarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-furamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C20H23N3O3S/c1-14-12-15(2)18-17(13-14)27-20(21-18)23(19(24)16-4-3-9-26-16)6-5-22-7-10-25-11-8-22/h3-4,9,12-13H,5-8,10-11H2,1-2H3/p+1