[(2S)-1-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]amino]ethyl]-dimethyl-ammonium Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C24H28N4O/c1-28(2)19(14-17-8-4-3-5-9-17)16-25-23-15-21(24(29)26-18-12-13-18)20-10-6-7-11-22(20)27-23/h3-11,15,18-19H,12-14,16H2,1-2H3,(H,25,27)(H,26,29)/p+1/t19-/m0/s1