7-(5,8-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(5,8-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(5,8-dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-4-(1-methyl-4-piperidin-1-iumyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(5,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(1-methylpiperidin-1-ium-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C28H37N3O4+2 MolecularWeight: 479.61108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)C5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)C5CC[NH+](CC5)C

InChI

InChI=1S/C28H35N3O4/c1-18-14-22(29-27-24(33-4)7-6-23(32-3)26(18)27)19-15-20-17-31(21-8-10-30(2)11-9-21)12-13-35-28(20)25(16-19)34-5/h6-7,14-16,21H,8-13,17H2,1-5H3/p+2