3-[(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(7-fluoranyl-2-methyl-quinolin-3-yl)carbonylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(7-fluoro-2-methyl-quinoline-3-carbonyl)amino]propyl]-methyl-ammonium CAS Name: 3-[[(7-fluoro-2-methyl-3-quinolinyl)-oxomethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(7-fluoro-2-methylquinoline-3-carbonyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(7-fluoro-2-methyl-quinoline-3-carbonyl)amino]propyl]-methyl-ammonium Formula: C22H25FN3O+ MolecularWeight: 366.451803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)NCCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C22H24FN3O/c1-16-20(13-18-9-10-19(23)14-21(18)25-16)22(27)24-11-6-12-26(2)15-17-7-4-3-5-8-17/h3-5,7-10,13-14H,6,11-12,15H2,1-2H3,(H,24,27)/p+1