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

Systemtic Name: 7-bromanyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-prop-2-enyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-allyl-7-bromo-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-[(4-oxanylamino)methyl]-N-phenyl-1-prop-2-enyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-bromo-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-prop-2-enyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-allyl-7-bromo-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C27H33BrN3O2+ MolecularWeight: 511.47382

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)Br)[N+](CC2)(CC=C)CNC4CCOCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)Br)[N+](CC2)(CC=C)CNC4CCOCC4

InChI

InChI=1S/C27H33BrN3O2/c1-3-14-31(20-29-24-12-16-33-17-13-24)15-11-21(18-22-19-23(28)9-10-26(22)31)27(32)30(2)25-7-5-4-6-8-25/h3-10,18-19,24,29H,1,11-17,20H2,2H3/q+1