2-[4-(2-butoxyethoxy)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-butoxyethoxy)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-butoxyethoxy)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-butoxyethoxy)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-butoxyethoxy)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-butoxyethoxy)phenyl]-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C37H46N3O5+ MolecularWeight: 612.77824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOC1=CC=C(C=C1)C2CC(=CC3=CC=CC=C3[N+]2(CNC4CCOCC4)C=O)C(=O)N(C)C5=CC=CC=C5

Isomeric SMILES

CCCCOCCOC1=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/C37H46N3O5/c1-3-4-20-43-23-24-45-34-16-14-29(15-17-34)36-26-31(37(42)39(2)33-11-6-5-7-12-33)25-30-10-8-9-13-35(30)40(36,28-41)27-38-32-18-21-44-22-19-32/h5-17,25,28,32,36,38H,3-4,18-24,26-27H2,1-2H3/q+1