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

Systemtic Name: 4-[(4-propan-2-ylphenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-[(4-isopropylphenyl)methyl]-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(4-propan-2-ylphenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(4-propan-2-ylphenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(4-isopropylbenzyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C24H27N2O2+ MolecularWeight: 375.48338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O2/c1-17(2)19-8-6-18(7-9-19)15-26-11-12-28-24-21(16-26)13-20(14-23(24)27)22-5-3-4-10-25-22/h3-10,13-14,17,27H,11-12,15-16H2,1-2H3/p+1