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

Systemtic Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 2-[4-(2-ethoxyethoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H42N3O5+ MolecularWeight: 584.72508

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C=O)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C=O)C(=O)N(C)C5=CC=CC=C5

InChI

InChI=1S/C35H42N3O5/c1-3-41-21-22-43-32-15-13-27(14-16-32)34-24-29(35(40)37(2)31-10-5-4-6-11-31)23-28-9-7-8-12-33(28)38(34,26-39)25-36-30-17-19-42-20-18-30/h4-16,23,26,30,34,36H,3,17-22,24-25H2,1-2H3/q+1