9-methoxy-7-(3-methoxyphenyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-(3-methoxyphenyl)-4-[(E)-2-methylbut-2-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C22H28NO3+ MolecularWeight: 354.46262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO3/c1-5-16(2)14-23-9-10-26-22-19(15-23)11-18(13-21(22)25-4)17-7-6-8-20(12-17)24-3/h5-8,11-13H,9-10,14-15H2,1-4H3/p+1/b16-5+