[(1R)-2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](CNC1=NC2=CC=CC=C2C(=C1)C(=O)NC3CC3)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS/c1-25(2)18(19-8-5-11-27-19)13-22-20-12-16(21(26)23-14-9-10-14)15-6-3-4-7-17(15)24-20/h3-8,11-12,14,18H,9-10,13H2,1-2H3,(H,22,24)(H,23,26)/p+1/t18-/m1/s1