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

Systemtic Name: N-methyl-1-methylsulfonyl-7-(4-morpholin-4-ylphenyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: N-methyl-1-methylsulfonyl-7-(4-morpholinophenyl)-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: N-methyl-1-methylsulfonyl-7-[4-(4-morpholinyl)phenyl]-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: N-methyl-1-methylsulfonyl-7-(4-morpholin-4-ylphenyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-mesyl-N-methyl-7-(4-morpholinophenyl)-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H43N4O5S+ MolecularWeight: 631.80472

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)[N+](CC2)(CNC6CCOCC6)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)N5CCOCC5)[N+](CC2)(CNC6CCOCC6)S(=O)(=O)C

InChI

InChI=1S/C35H43N4O5S/c1-37(32-6-4-3-5-7-32)35(40)29-14-19-39(45(2,41)42,26-36-31-15-20-43-21-16-31)34-13-10-28(24-30(34)25-29)27-8-11-33(12-9-27)38-17-22-44-23-18-38/h3-13,24-25,31,36H,14-23,26H2,1-2H3/q+1