9-methoxy-4-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-4-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(4-methoxyphenyl)methyl]-7-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(4-methoxyphenyl)methyl]-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-7-[4-(methylthio)phenyl]-4-p-anisyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C25H28NO3S+ MolecularWeight: 422.55972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCOC3=C(C2)C=C(C=C3OC)C4=CC=C(C=C4)SC

InChI

InChI=1S/C25H27NO3S/c1-27-22-8-4-18(5-9-22)16-26-12-13-29-25-21(17-26)14-20(15-24(25)28-2)19-6-10-23(30-3)11-7-19/h4-11,14-15H,12-13,16-17H2,1-3H3/p+1