(2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinazolin-4-ylsulfanyl-propan-1-one

Systemtic Name: (2R)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinazolin-4-ylsulfanyl-propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-quinazolin-4-ylsulfanyl-propan-1-one CAS Name: (2R)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(4-quinazolinylthio)-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(quinazolin-4-ylthio)propan-1-one Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H24N4OS/c1-17(28-21-19-9-5-6-10-20(19)23-16-24-21)22(27)26-13-11-25(12-14-26)15-18-7-3-2-4-8-18/h2-10,16-17H,11-15H2,1H3/p+1/t17-/m1/s1