dimethyl-[(1R)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[2-(3-pyridinyl)-4-quinazolinyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[2-(3-pyridyl)quinazolin-4-yl]amino]-1-(2-thienyl)ethyl]ammonium Formula: C21H22N5S+ MolecularWeight: 376.49788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](CNC1=NC(=NC2=CC=CC=C21)C3=CN=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N5S/c1-26(2)18(19-10-6-12-27-19)14-23-21-16-8-3-4-9-17(16)24-20(25-21)15-7-5-11-22-13-15/h3-13,18H,14H2,1-2H3,(H,23,24,25)/p+1/t18-/m1/s1