dimethyl-[(1S)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[(2-pyridin-4-ylquinolin-4-yl)carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-(2-pyridin-4-yl-4-quinolinyl)methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-(4-pyridyl)quinoline-4-carbonyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C23H23N4OS+ MolecularWeight: 403.51992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4OS/c1-27(2)22(17-9-12-29-15-17)14-25-23(28)19-13-21(16-7-10-24-11-8-16)26-20-6-4-3-5-18(19)20/h3-13,15,22H,14H2,1-2H3,(H,25,28)/p+1/t22-/m1/s1