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

Systemtic Name: 1-[(2-methoxyphenyl)methyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-[(2-methoxyphenyl)methyl]-N-methyl-N-phenyl-7-(4-propoxyphenyl)-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 1-[(2-methoxyphenyl)methyl]-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 1-[(2-methoxyphenyl)methyl]-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-(4-propoxyphenyl)-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: N-methyl-1-o-anisyl-N-phenyl-7-(4-propoxyphenyl)-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C41H48N3O4+ MolecularWeight: 646.83752

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CC5=CC=CC=C5OC)CNC6CCOCC6

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CC5=CC=CC=C5OC)CNC6CCOCC6

InChI

InChI=1S/C41H48N3O4/c1-4-24-48-38-17-14-31(15-18-38)32-16-19-39-35(27-32)28-33(41(45)43(2)37-11-6-5-7-12-37)20-23-44(39,30-42-36-21-25-47-26-22-36)29-34-10-8-9-13-40(34)46-3/h5-19,27-28,36,42H,4,20-26,29-30H2,1-3H3/q+1