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

Systemtic Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-3-ylamino)methyl]-N-phenyl-1-thiophen-2-ylcarbonyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-N-phenyl-1-[(tetrahydropyran-3-ylamino)methyl]-1-(thiophene-2-carbonyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(3-oxanylamino)methyl]-1-[oxo(thiophen-2-yl)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-1-[(oxan-3-ylamino)methyl]-N-phenyl-1-(thiophene-2-carbonyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-[4-(2-butoxyethoxy)phenyl]-N-methyl-N-phenyl-1-[(tetrahydropyran-3-ylamino)methyl]-1-(2-thenoyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C41H48N3O5S+ MolecularWeight: 694.90192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCCOC5)C(=O)C6=CC=CS6

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCCOC5)C(=O)C6=CC=CS6

InChI

InChI=1S/C41H48N3O5S/c1-3-4-22-47-24-25-49-37-17-14-31(15-18-37)32-16-19-38-34(27-32)28-33(40(45)43(2)36-11-6-5-7-12-36)20-21-44(38,41(46)39-13-9-26-50-39)30-42-35-10-8-23-48-29-35/h5-7,9,11-19,26-28,35,42H,3-4,8,10,20-25,29-30H2,1-2H3/q+1