4-[(4-methoxy-3-methyl-phenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol

Systemtic Name: 4-[(4-methoxy-3-methyl-phenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(4-methoxy-3-methyl-phenyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(4-methoxy-3-methylphenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(4-methoxy-3-methylphenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(4-methoxy-3-methyl-benzyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4)OC

InChI

InChI=1S/C23H24N2O3/c1-16-11-17(6-7-22(16)27-2)14-25-9-10-28-23-19(15-25)12-18(13-21(23)26)20-5-3-4-8-24-20/h3-8,11-13,26H,9-10,14-15H2,1-2H3/p+1