9-methoxy-7-(8-methoxy-4-methyl-quinolin-2-yl)-4-[(1-methylpyrrol-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-methylpyrrol-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-methylpyrrol-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-pyrrolyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(8-methoxy-4-methylquinolin-2-yl)-4-[(1-methylpyrrol-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-methylpyrrol-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C27H30N3O3+ MolecularWeight: 444.5454

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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=CC=CN5C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OC)C3=CC4=C(C(=C3)OC)OCC[NH+](C4)CC5=CC=CN5C

InChI

InChI=1S/C27H29N3O3/c1-18-13-23(28-26-22(18)8-5-9-24(26)31-3)19-14-20-16-30(17-21-7-6-10-29(21)2)11-12-33-27(20)25(15-19)32-4/h5-10,13-15H,11-12,16-17H2,1-4H3/p+1