(2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-1-(4-phenylpiperazino)propan-1-one Formula: C26H32N5O2S+ MolecularWeight: 478.62958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)C[NH+]5CCOCC5

InChI

InChI=1S/C26H31N5O2S/c1-20(26(32)31-13-11-30(12-14-31)21-7-3-2-4-8-21)34-25-22-9-5-6-10-23(22)27-24(28-25)19-29-15-17-33-18-16-29/h2-10,20H,11-19H2,1H3/p+1/t20-/m1/s1