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

Systemtic Name: 9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-4-[(1-methylbenzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolinyl)-4-[(1-methyl-2-benzimidazolyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(8-methoxy-4-methyl-2-quinolyl)-4-[(1-methylbenzimidazol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C30H31N4O3+ MolecularWeight: 495.59214

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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=NC6=CC=CC=C6N5C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C30H30N4O3/c1-19-14-24(32-29-22(19)8-7-11-26(29)35-3)20-15-21-17-34(12-13-37-30(21)27(16-20)36-4)18-28-31-23-9-5-6-10-25(23)33(28)2/h5-11,14-16H,12-13,17-18H2,1-4H3/p+1