7-(1,3-benzothiazol-2-yl)-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-(2-furylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-(2-furanylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(2-furfuryl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C21H19N2O3S+ MolecularWeight: 379.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CO3)C=C(C=C2O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CO3)C=C(C=C2O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H18N2O3S/c24-18-11-14(21-22-17-5-1-2-6-19(17)27-21)10-15-12-23(7-9-26-20(15)18)13-16-4-3-8-25-16/h1-6,8,10-11,24H,7,9,12-13H2/p+1