7-(1,3-benzothiazol-2-yl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(1,3-benzothiazol-2-yl)-4-(8-quinolinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-(quinolin-8-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(8-quinolylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C26H22N3O2S+ MolecularWeight: 440.53678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C[NH+]1CC3=CC=CC4=C3N=CC=C4)C=C(C=C2O)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1COC2=C(C[NH+]1CC3=CC=CC4=C3N=CC=C4)C=C(C=C2O)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H21N3O2S/c30-22-14-19(26-28-21-8-1-2-9-23(21)32-26)13-20-16-29(11-12-31-25(20)22)15-18-6-3-5-17-7-4-10-27-24(17)18/h1-10,13-14,30H,11-12,15-16H2/p+1