dimethyl-[(1R)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]-1-(2-thienyl)ethyl]ammonium Formula: C23H23N4OS+ MolecularWeight: 403.51992

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3)C4=CC=CS4

InChI

InChI=1S/C23H22N4OS/c1-27(2)21(22-8-5-13-29-22)15-25-23(28)18-14-20(16-9-11-24-12-10-16)26-19-7-4-3-6-17(18)19/h3-14,21H,15H2,1-2H3,(H,25,28)/p+1/t21-/m1/s1