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

Systemtic Name: N-methyl-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-[4-(2-propan-2-yloxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-[4-(2-isopropoxyethoxy)phenyl]-N-methyl-1-methylsulfonyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: N-methyl-1-methylsulfonyl-1-[(4-oxanylamino)methyl]-N-phenyl-7-[4-(2-propan-2-yloxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: N-methyl-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-7-[4-(2-propan-2-yloxyethoxy)phenyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-[4-(2-isopropoxyethoxy)phenyl]-1-mesyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C36H46N3O6S+ MolecularWeight: 648.83194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)S(=O)(=O)C

Isomeric SMILES

CC(C)OCCOC1=CC=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)S(=O)(=O)C

InChI

InChI=1S/C36H46N3O6S/c1-27(2)44-22-23-45-34-13-10-28(11-14-34)29-12-15-35-31(24-29)25-30(36(40)38(3)33-8-6-5-7-9-33)16-19-39(35,46(4,41)42)26-37-32-17-20-43-21-18-32/h5-15,24-25,27,32,37H,16-23,26H2,1-4H3/q+1