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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-benzyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C23H21N2O2S+ MolecularWeight: 389.49004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CC=C3)C=C(C=C2O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CC=C3)C=C(C=C2O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N2O2S/c26-20-13-17(23-24-19-8-4-5-9-21(19)28-23)12-18-15-25(10-11-27-22(18)20)14-16-6-2-1-3-7-16/h1-9,12-13,26H,10-11,14-15H2/p+1