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

Systemtic Name: N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-prop-2-enyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-allyl-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: N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-1-prop-2-enyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-1-prop-2-enyl-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-allyl-N-methyl-N-phenyl-7-[4-(2-propoxyethoxy)phenyl]-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C38H48N3O4+ MolecularWeight: 610.80542

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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=C)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=C)CNC5CCOCC5

InChI

InChI=1S/C38H48N3O4/c1-4-20-41(29-39-34-18-23-44-24-19-34)21-17-32(38(42)40(3)35-9-7-6-8-10-35)28-33-27-31(13-16-37(33)41)30-11-14-36(15-12-30)45-26-25-43-22-5-2/h4,6-16,27-28,34,39H,1,5,17-26,29H2,2-3H3/q+1