[(1S)-2-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C23H26N3O+ MolecularWeight: 360.47204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O/c1-26(2)22(17-8-4-3-5-9-17)15-24-23(27)19-14-21(16-12-13-16)25-20-11-7-6-10-18(19)20/h3-11,14,16,22H,12-13,15H2,1-2H3,(H,24,27)/p+1/t22-/m1/s1