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

Systemtic Name: 7-(5,8-dimethoxy-4-methyl-quinolin-2-yl)-4-(furan-3-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-4-(3-furylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(5,8-dimethoxy-4-methyl-2-quinolinyl)-4-(3-furanylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(5,8-dimethoxy-4-methylquinolin-2-yl)-4-(furan-3-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(5,8-dimethoxy-4-methyl-2-quinolyl)-4-(3-furfuryl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H29N2O5+ MolecularWeight: 461.52956

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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=COC=C5

Isomeric SMILES

CC1=CC(=NC2=C(C=CC(=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=COC=C5

InChI

InChI=1S/C27H28N2O5/c1-17-11-21(28-26-23(31-3)6-5-22(30-2)25(17)26)19-12-20-15-29(14-18-7-9-33-16-18)8-10-34-27(20)24(13-19)32-4/h5-7,9,11-13,16H,8,10,14-15H2,1-4H3/p+1