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

Systemtic Name: 1-methanoyl-N-methyl-7-(4-morpholin-4-ylphenyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 1-formyl-N-methyl-7-(4-morpholinophenyl)-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 1-formyl-N-methyl-7-[4-(4-morpholinyl)phenyl]-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 1-formyl-N-methyl-7-(4-morpholin-4-ylphenyl)-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 1-formyl-N-methyl-7-(4-morpholinophenyl)-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C35H41N4O4+ MolecularWeight: 581.72444

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C35H41N4O4/c1-37(32-5-3-2-4-6-32)35(41)29-13-18-39(26-40,25-36-31-14-19-42-20-15-31)34-12-9-28(23-30(34)24-29)27-7-10-33(11-8-27)38-16-21-43-22-17-38/h2-12,23-24,26,31,36H,13-22,25H2,1H3/q+1