(2R)-2-(4-fluorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepin-5-ium

Systemtic Name: (2R)-2-(4-fluorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepin-5-ium Openeye Name: (2R)-2-(4-fluorophenyl)-4-(2-furyl)-2,3-dihydro-1,5-benzothiazepin-5-ium CAS Name: (2R)-2-(4-fluorophenyl)-4-(2-furanyl)-2,3-dihydro-1,5-benzothiazepin-5-ium IUPAC Name: (2R)-2-(4-fluorophenyl)-4-(furan-2-yl)-2,3-dihydro-1,5-benzothiazepin-5-ium Traditional Name: (2R)-2-(4-fluorophenyl)-4-(2-furyl)-2,3-dihydro-1,5-benzothiazepin-5-ium Formula: C19H15FNOS+ MolecularWeight: 324.391903

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2[NH+]=C1C3=CC=CO3)C4=CC=C(C=C4)F

Isomeric SMILES

C1[C@@H](SC2=CC=CC=C2[NH+]=C1C3=CC=CO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H14FNOS/c20-14-9-7-13(8-10-14)19-12-16(17-5-3-11-22-17)21-15-4-1-2-6-18(15)23-19/h1-11,19H,12H2/p+1/t19-/m1/s1