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

Systemtic Name: 1-methanoyl-N-methyl-7-[4-(2-methylsulfanylethoxy)phenyl]-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-formyl-N-methyl-7-[4-(2-methylsulfanylethoxy)phenyl]-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 1-formyl-N-methyl-7-[4-[2-(methylthio)ethoxy]phenyl]-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 1-formyl-N-methyl-7-[4-(2-methylsulfanylethoxy)phenyl]-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-formyl-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: C34H40N3O4S+ MolecularWeight: 586.7641

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C34H40N3O4S/c1-36(31-6-4-3-5-7-31)34(39)28-14-17-37(25-38,24-35-30-15-18-40-19-16-30)33-13-10-27(22-29(33)23-28)26-8-11-32(12-9-26)41-20-21-42-2/h3-13,22-23,25,30,35H,14-21,24H2,1-2H3/q+1