N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

Systemtic Name: N-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Openeye Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide CAS Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-furancarboxamide IUPAC Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Traditional Name: N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-furamide Formula: C20H23ClN3O3S+ MolecularWeight: 420.93292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/c1-14-5-6-15(21)18-17(14)22-20(28-18)24(19(25)16-4-2-11-27-16)8-3-7-23-9-12-26-13-10-23/h2,4-6,11H,3,7-10,12-13H2,1H3/p+1