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

Systemtic Name: 7-[4-(diethylamino)phenyl]-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-[4-(diethylamino)phenyl]-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-[4-(diethylamino)phenyl]-N,1-dimethyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-[4-(diethylamino)phenyl]-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-[4-(diethylamino)phenyl]-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H45N4O2+ MolecularWeight: 553.7574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(C)CNC5CCOCC5

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(C)CNC5CCOCC5

InChI

InChI=1S/C35H45N4O2/c1-5-38(6-2)33-15-12-27(13-16-33)28-14-17-34-30(24-28)25-29(35(40)37(3)32-10-8-7-9-11-32)18-21-39(34,4)26-36-31-19-22-41-23-20-31/h7-17,24-25,31,36H,5-6,18-23,26H2,1-4H3/q+1