5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]furan-2-carboxamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]furan-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]furan-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]furan-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-2-furamide Formula: C25H26N3O3S+ MolecularWeight: 448.55724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC=C(O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3O3S/c1-17-6-8-18(9-7-17)20(16-28-12-14-30-15-13-28)26-24(29)21-10-11-22(31-21)25-27-19-4-2-3-5-23(19)32-25/h2-11,20H,12-16H2,1H3,(H,26,29)/p+1/t20-/m0/s1