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

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]cyclobutanecarboxamide Openeye Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methyl]cyclobutanecarboxamide CAS Name: N-[2-(4-fluorophenyl)ethyl]-N-[[7-methoxy-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]cyclobutanecarboxamide IUPAC Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]cyclobutanecarboxamide Traditional Name: N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholino-quinolin-1-ium-3-yl)methyl]cyclobutanecarboxamide Formula: C28H33FN3O3+ MolecularWeight: 478.578323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCC3=CC=C(C=C3)F)C(=O)C4CCC4)N5CCOCC5

Isomeric SMILES

COC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCC3=CC=C(C=C3)F)C(=O)C4CCC4)N5CCOCC5

InChI

InChI=1S/C28H32FN3O3/c1-34-25-10-7-22-17-23(27(30-26(22)18-25)31-13-15-35-16-14-31)19-32(28(33)21-3-2-4-21)12-11-20-5-8-24(29)9-6-20/h5-10,17-18,21H,2-4,11-16,19H2,1H3/p+1