7-(7-fluoranyl-4-methyl-quinolin-2-yl)-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 7-(7-fluoranyl-4-methyl-quinolin-2-yl)-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 7-(7-fluoro-4-methyl-2-quinolyl)-4-(2-furylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 7-(7-fluoro-4-methyl-2-quinolinyl)-4-(2-furanylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 7-(7-fluoro-4-methylquinolin-2-yl)-4-(furan-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 7-(7-fluoro-4-methyl-2-quinolyl)-4-(2-furfuryl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C24H22FN2O3+ MolecularWeight: 405.441483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)F)C3=CC4=C(C(=C3)O)OCC[NH+](C4)CC5=CC=CO5

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)F)C3=CC4=C(C(=C3)O)OCC[NH+](C4)CC5=CC=CO5

InChI

InChI=1S/C24H21FN2O3/c1-15-9-21(26-22-12-18(25)4-5-20(15)22)16-10-17-13-27(14-19-3-2-7-29-19)6-8-30-24(17)23(28)11-16/h2-5,7,9-12,28H,6,8,13-14H2,1H3/p+1