2-[4-[4-[[(1R)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-[[(1R)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-[[(1R)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-[[(1R)-1-phenylethyl]amino]-2-quinazolinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-[[(1R)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-[[(1R)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol Formula: C22H28N5O+ MolecularWeight: 378.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CC[NH+](CC4)CCO

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC2=NC(=NC3=CC=CC=C32)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C22H27N5O/c1-17(18-7-3-2-4-8-18)23-21-19-9-5-6-10-20(19)24-22(25-21)27-13-11-26(12-14-27)15-16-28/h2-10,17,28H,11-16H2,1H3,(H,23,24,25)/p+1/t17-/m1/s1