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

Systemtic Name: 7-bromanyl-N-methyl-1-(3-methylbutyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-bromo-1-isopentyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-bromo-N-methyl-1-(3-methylbutyl)-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-bromo-N-methyl-1-(3-methylbutyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-bromo-1-isoamyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C29H39BrN3O2+ MolecularWeight: 541.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1(CCC(=CC2=C1C=CC(=C2)Br)C(=O)N(C)C3=CC=CC=C3)CNC4CCOCC4

Isomeric SMILES

CC(C)CC[N+]1(CCC(=CC2=C1C=CC(=C2)Br)C(=O)N(C)C3=CC=CC=C3)CNC4CCOCC4

InChI

InChI=1S/C29H39BrN3O2/c1-22(2)11-15-33(21-31-26-13-17-35-18-14-26)16-12-23(19-24-20-25(30)9-10-28(24)33)29(34)32(3)27-7-5-4-6-8-27/h4-10,19-20,22,26,31H,11-18,21H2,1-3H3/q+1