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

Systemtic Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-pyridinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(pyridin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(1,3-benzothiazol-2-yl)-9-methoxy-4-(2-pyridylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C23H22N3O2S+ MolecularWeight: 404.50468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CC=N3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O2S/c1-27-20-13-16(23-25-19-7-2-3-8-21(19)29-23)12-17-14-26(10-11-28-22(17)20)15-18-6-4-5-9-24-18/h2-9,12-13H,10-11,14-15H2,1H3/p+1