dimethyl-[(1S)-1-phenyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]azanium

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[2-(2-thienyl)quinazolin-4-yl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-1-phenyl-2-[(2-thiophen-2-yl-4-quinazolinyl)amino]ethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[(2-thiophen-2-ylquinazolin-4-yl)amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[2-(2-thienyl)quinazolin-4-yl]amino]ethyl]ammonium Formula: C22H23N4S+ MolecularWeight: 375.50982

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=NC(=NC2=CC=CC=C21)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC1=NC(=NC2=CC=CC=C21)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4S/c1-26(2)19(16-9-4-3-5-10-16)15-23-21-17-11-6-7-12-18(17)24-22(25-21)20-13-8-14-27-20/h3-14,19H,15H2,1-2H3,(H,23,24,25)/p+1/t19-/m1/s1