N-methyl-7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide

Systemtic Name: N-methyl-7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: N-methyl-7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: N-methyl-1-methylsulfonyl-7-[4-[2-(methylthio)ethoxy]phenyl]-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: N-methyl-7-[4-(2-methylsulfanylethoxy)phenyl]-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-mesyl-N-methyl-7-[4-[2-(methylthio)ethoxy]phenyl]-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C34H42N3O5S2+ MolecularWeight: 636.84438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OCCSC)[N+](CC2)(CNC5CCOCC5)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)OCCSC)[N+](CC2)(CNC5CCOCC5)S(=O)(=O)C

InChI

InChI=1S/C34H42N3O5S2/c1-36(31-7-5-4-6-8-31)34(38)28-15-18-37(44(3,39)40,25-35-30-16-19-41-20-17-30)33-14-11-27(23-29(33)24-28)26-9-12-32(13-10-26)42-21-22-43-2/h4-14,23-24,30,35H,15-22,25H2,1-3H3/q+1