dimethyl-[1-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]cyclohexyl]azanium

Systemtic Name: dimethyl-[1-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]cyclohexyl]azanium Openeye Name: dimethyl-[1-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]cyclohexyl]ammonium CAS Name: dimethyl-[1-[[[2-(3-pyridinyl)-4-quinazolinyl]amino]methyl]cyclohexyl]ammonium IUPAC Name: dimethyl-[1-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]cyclohexyl]azanium Traditional Name: dimethyl-[1-[[[2-(3-pyridyl)quinazolin-4-yl]amino]methyl]cyclohexyl]ammonium Formula: C22H28N5+ MolecularWeight: 362.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCC1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

Isomeric SMILES

C[NH+](C)C1(CCCCC1)CNC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4

InChI

InChI=1S/C22H27N5/c1-27(2)22(12-6-3-7-13-22)16-24-21-18-10-4-5-11-19(18)25-20(26-21)17-9-8-14-23-15-17/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,24,25,26)/p+1