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

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]furan-2-carboxamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]furan-2-carboxamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]furan-2-carboxamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-furamide Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)[NH+]5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4S3)[NH+]5CCOCC5

InChI

InChI=1S/C25H25N3O4S/c1-30-18-8-6-17(7-9-18)20(28-12-14-31-15-13-28)16-26-24(29)21-10-11-22(32-21)25-27-19-4-2-3-5-23(19)33-25/h2-11,20H,12-16H2,1H3,(H,26,29)/p+1/t20-/m0/s1