7-(6,8-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-(6,8-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-(6,8-dimethoxy-4-methyl-2-quinolyl)-4-(3-furylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 7-(6,8-dimethoxy-4-methyl-2-quinolinyl)-4-(3-furanylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 7-(6,8-dimethoxy-4-methylquinolin-2-yl)-4-(furan-3-ylmethyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 7-(6,8-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=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=COC=C5

Isomeric SMILES

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

InChI

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