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

Systemtic Name: 7-(3,4-diethylphenyl)-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-(3,4-diethylphenyl)-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-(3,4-diethylphenyl)-N,1-dimethyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-(3,4-diethylphenyl)-N,1-dimethyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-(3,4-diethylphenyl)-N,1-dimethyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H44N3O2+ MolecularWeight: 538.74276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(C)CNC5CCOCC5)CC

Isomeric SMILES

CCC1=C(C=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(C)CNC5CCOCC5)CC

InChI

InChI=1S/C35H44N3O2/c1-5-26-12-13-28(22-27(26)6-2)29-14-15-34-31(23-29)24-30(35(39)37(3)33-10-8-7-9-11-33)16-19-38(34,4)25-36-32-17-20-40-21-18-32/h7-15,22-24,32,36H,5-6,16-21,25H2,1-4H3/q+1