(2-fluorophenyl)methyl-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]azanium

Systemtic Name: (2-fluorophenyl)methyl-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]azanium Openeye Name: (2-fluorophenyl)methyl-[(7-methylsulfanyl-2-morpholino-quinolin-1-ium-3-yl)methyl]ammonium CAS Name: (2-fluorophenyl)methyl-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: (2-fluorophenyl)methyl-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]azanium Traditional Name: (2-fluorobenzyl)-[[7-(methylthio)-2-morpholino-quinolin-1-ium-3-yl]methyl]ammonium Formula: C22H26FN3OS+2 MolecularWeight: 399.524743

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC3=CC=CC=C3F)N4CCOCC4

Isomeric SMILES

CSC1=CC2=[NH+]C(=C(C=C2C=C1)C[NH2+]CC3=CC=CC=C3F)N4CCOCC4

InChI

InChI=1S/C22H24FN3OS/c1-28-19-7-6-16-12-18(15-24-14-17-4-2-3-5-20(17)23)22(25-21(16)13-19)26-8-10-27-11-9-26/h2-7,12-13,24H,8-11,14-15H2,1H3/p+2