[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]azanium

Systemtic Name: [(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-[(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl]azanium Openeye Name: [(1S)-1-(4-fluorophenyl)-2-methyl-propyl]-[(3-methoxycarbonyl-4-methyl-2-quinolyl)methyl]ammonium CAS Name: [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[(3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl]ammonium IUPAC Name: [(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[(3-methoxycarbonyl-4-methylquinolin-2-yl)methyl]azanium Traditional Name: (3-carbomethoxy-4-methyl-2-quinolyl)methyl-[(1S)-1-(4-fluorophenyl)-2-methyl-propyl]ammonium Formula: C23H26FN2O2+ MolecularWeight: 381.463143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH2+]C(C3=CC=C(C=C3)F)C(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH2+][C@H](C3=CC=C(C=C3)F)C(C)C)C(=O)OC

InChI

InChI=1S/C23H25FN2O2/c1-14(2)22(16-9-11-17(24)12-10-16)25-13-20-21(23(27)28-4)15(3)18-7-5-6-8-19(18)26-20/h5-12,14,22,25H,13H2,1-4H3/p+1/t22-/m0/s1