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

Systemtic Name: 7-(4-ethoxy-3-fluoranyl-phenyl)-1-methanoyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-(4-ethoxy-3-fluoro-phenyl)-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-(4-ethoxy-3-fluorophenyl)-1-formyl-N-methyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-(4-ethoxy-3-fluorophenyl)-1-formyl-N-methyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Traditional Name: 7-(4-ethoxy-3-fluoro-phenyl)-1-formyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C33H37FN3O4+ MolecularWeight: 558.662983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=CC3=C(C=C2)[N+](CCC(=C3)C(=O)N(C)C4=CC=CC=C4)(CNC5CCOCC5)C=O)F

InChI

InChI=1S/C33H37FN3O4/c1-3-41-32-12-10-25(21-30(32)34)24-9-11-31-27(19-24)20-26(33(39)36(2)29-7-5-4-6-8-29)13-16-37(31,23-38)22-35-28-14-17-40-18-15-28/h4-12,19-21,23,28,35H,3,13-18,22H2,1-2H3/q+1