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

Systemtic Name: 1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-formyl-N-methyl-N-phenyl-7-[4-(2-propoxyethoxy)phenyl]-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-formyl-N-methyl-N-phenyl-7-[4-(2-propoxyethoxy)phenyl]-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C36H44N3O5+ MolecularWeight: 598.75166

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O

Isomeric SMILES

CCCOCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O

InChI

InChI=1S/C36H44N3O5/c1-3-19-42-22-23-44-34-12-9-28(10-13-34)29-11-14-35-31(24-29)25-30(36(41)38(2)33-7-5-4-6-8-33)15-18-39(35,27-40)26-37-32-16-20-43-21-17-32/h4-14,24-25,27,32,37H,3,15-23,26H2,1-2H3/q+1