7-(5,8-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(quinoxalin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 7-(5,8-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(quinoxalin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(quinoxalin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(5,8-dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-4-(6-quinoxalinylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(5,8-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-4-(quinoxalin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(quinoxalin-6-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C31H31N4O4+ MolecularWeight: 523.60224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=CC6=NC=CN=C6C=C5

Isomeric SMILES

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=CC6=NC=CN=C6C=C5

InChI

InChI=1S/C31H30N4O4/c1-19-13-24(34-30-27(37-3)8-7-26(36-2)29(19)30)21-15-22-18-35(11-12-39-31(22)28(16-21)38-4)17-20-5-6-23-25(14-20)33-10-9-32-23/h5-10,13-16H,11-12,17-18H2,1-4H3/p+1