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

Systemtic Name: 4-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Openeye Name: 4-(m-tolylmethyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol CAS Name: 4-[(3-methylphenyl)methyl]-7-(2-pyridinyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol IUPAC Name: 4-[(3-methylphenyl)methyl]-7-pyridin-2-yl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Traditional Name: 4-(3-methylbenzyl)-7-(2-pyridyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-9-ol Formula: C22H23N2O2+ MolecularWeight: 347.43022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O2/c1-16-5-4-6-17(11-16)14-24-9-10-26-22-19(15-24)12-18(13-21(22)25)20-7-2-3-8-23-20/h2-8,11-13,25H,9-10,14-15H2,1H3/p+1