N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-N-[[7-methoxy-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide Formula: C28H29FN3O3S+ MolecularWeight: 506.611563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCC3=CC=C(C=C3)F)C(=O)C4=CC=CS4)N5CCOCC5

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCC3=CC=C(C=C3)F)C(=O)C4=CC=CS4)N5CCOCC5

InChI

InChI=1S/C28H28FN3O3S/c1-34-24-9-6-21-17-22(27(30-25(21)18-24)31-12-14-35-15-13-31)19-32(28(33)26-3-2-16-36-26)11-10-20-4-7-23(29)8-5-20/h2-9,16-18H,10-15,19H2,1H3/p+1