9-methoxy-4-[(8-methoxyquinolin-2-yl)methyl]-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(8-methoxyquinolin-2-yl)methyl]-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(8-methoxy-2-quinolyl)methyl]-7-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(8-methoxy-2-quinolinyl)methyl]-7-(5-methyl-2-thiophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(8-methoxyquinolin-2-yl)methyl]-7-(5-methylthiophen-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(8-methoxy-2-quinolyl)methyl]-7-(5-methyl-2-thienyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=NC5=C(C=CC=C5OC)C=C4

Isomeric SMILES

CC1=CC=C(S1)C2=CC3=C(C(=C2)OC)OCC[NH+](C3)CC4=NC5=C(C=CC=C5OC)C=C4

InChI

InChI=1S/C26H26N2O3S/c1-17-7-10-24(32-17)19-13-20-15-28(11-12-31-26(20)23(14-19)30-3)16-21-9-8-18-5-4-6-22(29-2)25(18)27-21/h4-10,13-14H,11-12,15-16H2,1-3H3/p+1