1-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-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-ethyl-N-methyl-N-phenyl-7-[4-(2-propoxyethoxy)phenyl]-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C37H48N3O4+ MolecularWeight: 598.79472

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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)(CC)CNC5CCOCC5

Isomeric SMILES

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

InChI

InChI=1S/C37H48N3O4/c1-4-21-42-24-25-44-35-14-11-29(12-15-35)30-13-16-36-32(26-30)27-31(37(41)39(3)34-9-7-6-8-10-34)17-20-40(36,5-2)28-38-33-18-22-43-23-19-33/h6-16,26-27,33,38H,4-5,17-25,28H2,1-3H3/q+1