2-[4-[3-[(6-bromanylquinazolin-4-yl)amino]propyl]piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-[3-[(6-bromanylquinazolin-4-yl)amino]propyl]piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-[3-[(6-bromo-4-quinazolinyl)amino]propyl]-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-4-ium-1-yl]ethanol Formula: C17H25BrN5O+ MolecularWeight: 395.3173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=NC=NC3=C2C=C(C=C3)Br)CCO

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=NC=NC3=C2C=C(C=C3)Br)CCO

InChI

InChI=1S/C17H24BrN5O/c18-14-2-3-16-15(12-14)17(21-13-20-16)19-4-1-5-22-6-8-23(9-7-22)10-11-24/h2-3,12-13,24H,1,4-11H2,(H,19,20,21)/p+1