4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1H-quinazoline-2-thione

Systemtic Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1H-quinazoline-2-thione Openeye Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1H-quinazoline-2-thione CAS Name: 4-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-1H-quinazoline-2-thione IUPAC Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1H-quinazoline-2-thione Traditional Name: 4-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-1H-quinazoline-2-thione Formula: C15H21N4S+ MolecularWeight: 289.41904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C15H20N4S/c1-2-19-9-5-6-11(19)10-16-14-12-7-3-4-8-13(12)17-15(20)18-14/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H2,16,17,18,20)/p+1/t11-/m0/s1