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

Systemtic Name: 4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(4-methoxy-2,5-dimethylphenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(4-methoxy-2,5-dimethylphenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(4-methoxy-2,5-dimethyl-benzyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCOC3=C(C2)C=C(C=C3O)C4=CC=CC=N4)C)OC

InChI

InChI=1S/C24H26N2O3/c1-16-11-23(28-3)17(2)10-19(16)14-26-8-9-29-24-20(15-26)12-18(13-22(24)27)21-6-4-5-7-25-21/h4-7,10-13,27H,8-9,14-15H2,1-3H3/p+1