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

Systemtic Name: N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: N-methyl-N-phenyl-1-propyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-propyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: N-methyl-N-phenyl-1-propyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C27H36N3O2+ MolecularWeight: 434.59364

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)CNC4CCOCC4

Isomeric SMILES

CCC[N+]1(CCC(=CC2=CC=CC=C21)C(=O)N(C)C3=CC=CC=C3)CNC4CCOCC4

InChI

InChI=1S/C27H36N3O2/c1-3-16-30(21-28-24-14-18-32-19-15-24)17-13-23(20-22-9-7-8-12-26(22)30)27(31)29(2)25-10-5-4-6-11-25/h4-12,20,24,28H,3,13-19,21H2,1-2H3/q+1