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

Systemtic Name: 7-(4-ethoxy-3-fluoranyl-phenyl)-N-methyl-1-methylsulfonyl-1-[(oxan-4-ylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Openeye Name: 7-(4-ethoxy-3-fluoro-phenyl)-N-methyl-1-methylsulfonyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide CAS Name: 7-(4-ethoxy-3-fluorophenyl)-N-methyl-1-methylsulfonyl-1-[(4-oxanylamino)methyl]-N-phenyl-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide IUPAC Name: 7-(4-ethoxy-3-fluorophenyl)-N-methyl-1-methylsulfonyl-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-mesyl-N-methyl-N-phenyl-1-[(tetrahydropyran-4-ylamino)methyl]-2,3-dihydro-1-benzazepin-1-ium-4-carboxamide Formula: C33H39FN3O5S+ MolecularWeight: 608.743263

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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)S(=O)(=O)C)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)S(=O)(=O)C)F

InChI

InChI=1S/C33H39FN3O5S/c1-4-42-32-13-11-25(22-30(32)34)24-10-12-31-27(20-24)21-26(33(38)36(2)29-8-6-5-7-9-29)14-17-37(31,43(3,39)40)23-35-28-15-18-41-19-16-28/h5-13,20-22,28,35H,4,14-19,23H2,1-3H3/q+1