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

Systemtic Name: 2-[4-(2-butoxyethoxy)phenyl]-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(2-butoxyethoxy)phenyl]-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(2-butoxyethoxy)phenyl]-N,1-dimethyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(2-butoxyethoxy)phenyl]-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(2-butoxyethoxy)phenyl]-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C37H48N3O4+ MolecularWeight: 598.79472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(C)CNC4CCOCC4)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(C)CNC4CCOCC4)C(=O)N(C)C5=CC=CC=C5

InChI

InChI=1S/C37H48N3O4/c1-4-5-21-42-24-25-44-34-17-15-29(16-18-34)36-27-31(37(41)39(2)33-12-7-6-8-13-33)26-30-11-9-10-14-35(30)40(36,3)28-38-32-19-22-43-23-20-32/h6-18,26,32,36,38H,4-5,19-25,27-28H2,1-3H3/q+1