9-methoxy-7-(4-methoxyphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(4-methoxyphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-isobutyl-9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(4-methoxyphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(4-methoxyphenyl)-4-(2-methylpropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-isobutyl-9-methoxy-7-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C21H28NO3+ MolecularWeight: 342.45192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)C[NH+]1CCOC2=C(C1)C=C(C=C2OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27NO3/c1-15(2)13-22-9-10-25-21-18(14-22)11-17(12-20(21)24-4)16-5-7-19(23-3)8-6-16/h5-8,11-12,15H,9-10,13-14H2,1-4H3/p+1