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

Systemtic Name: 9-methoxy-4-[(1-methylbenzimidazol-2-yl)methyl]-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Openeye Name: 9-methoxy-4-[(1-methylbenzimidazol-2-yl)methyl]-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium CAS Name: 9-methoxy-4-[(1-methyl-2-benzimidazolyl)methyl]-7-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium IUPAC Name: 9-methoxy-4-[(1-methylbenzimidazol-2-yl)methyl]-7-(4-methylsulfanylphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Traditional Name: 9-methoxy-4-[(1-methylbenzimidazol-2-yl)methyl]-7-[4-(methylthio)phenyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C[NH+]3CCOC4=C(C3)C=C(C=C4OC)C5=CC=C(C=C5)SC

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C[NH+]3CCOC4=C(C3)C=C(C=C4OC)C5=CC=C(C=C5)SC

InChI

InChI=1S/C26H27N3O2S/c1-28-23-7-5-4-6-22(23)27-25(28)17-29-12-13-31-26-20(16-29)14-19(15-24(26)30-2)18-8-10-21(32-3)11-9-18/h4-11,14-15H,12-13,16-17H2,1-3H3/p+1