9-methoxy-7-(4-methylsulfanylphenyl)-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium

Systemtic Name: 9-methoxy-7-(4-methylsulfanylphenyl)-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 4-benzyl-9-methoxy-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-7-[4-(methylthio)phenyl]-4-(phenylmethyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 4-benzyl-9-methoxy-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 4-benzyl-9-methoxy-7-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C24H26NO2S+ MolecularWeight: 392.53374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CC=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

COC1=CC(=CC2=C1OCC[NH+](C2)CC3=CC=CC=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C24H25NO2S/c1-26-23-15-20(19-8-10-22(28-2)11-9-19)14-21-17-25(12-13-27-24(21)23)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3/p+1