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

Systemtic Name: 5-methoxy-2-[[9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol CAS Name: 5-methoxy-2-[[9-methoxy-7-(8-methoxy-4-methyl-2-quinolinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol IUPAC Name: 5-methoxy-2-[[9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]methyl]phenol Formula: C29H31N2O5+ MolecularWeight: 487.56684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=C(C=C(C=C5)OC)O

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=C(C=C(C=C5)OC)O

InChI

InChI=1S/C29H30N2O5/c1-18-12-24(30-28-23(18)6-5-7-26(28)34-3)20-13-21-17-31(10-11-36-29(21)27(14-20)35-4)16-19-8-9-22(33-2)15-25(19)32/h5-9,12-15,32H,10-11,16-17H2,1-4H3/p+1