7-(1,3-benzothiazol-2-yl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(1,3-benzothiazol-2-yl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1,3-benzothiazol-2-yl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1,3-benzothiazol-2-yl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(1,3-benzothiazol-2-yl)-4-(1H-indol-2-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H24N3O2S+ MolecularWeight: 442.55266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC4=CC=CC=C4N3)C5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC4=CC=CC=C4N3)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C26H23N3O2S/c1-30-23-14-18(26-28-22-8-4-5-9-24(22)32-26)12-19-15-29(10-11-31-25(19)23)16-20-13-17-6-2-3-7-21(17)27-20/h2-9,12-14,27H,10-11,15-16H2,1H3/p+1