4-(9H-fluoren-2-ylmethyl)-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 4-(9H-fluoren-2-ylmethyl)-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-(9H-fluoren-2-ylmethyl)-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 4-(9H-fluoren-2-ylmethyl)-9-methoxy-7-(3-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-(9H-fluoren-2-ylmethyl)-9-methoxy-7-pyridin-3-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-(9H-fluoren-2-ylmethyl)-9-methoxy-7-(3-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C29H27N2O2+ MolecularWeight: 435.53688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC4=C(C=C3)C5=CC=CC=C5C4)C6=CN=CC=C6

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC4=C(C=C3)C5=CC=CC=C5C4)C6=CN=CC=C6

InChI

InChI=1S/C29H26N2O2/c1-32-28-16-23(22-6-4-10-30-17-22)15-25-19-31(11-12-33-29(25)28)18-20-8-9-27-24(13-20)14-21-5-2-3-7-26(21)27/h2-10,13,15-17H,11-12,14,18-19H2,1H3/p+1