(2R)-2-(2-methylquinazolin-4-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(2-methylquinazolin-4-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylquinazolin-4-yl)sulfanyl-propan-1-one CAS Name: (2R)-2-[(2-methyl-4-quinazolinyl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-methylquinazolin-4-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-[(2-methylquinazolin-4-yl)thio]propan-1-one Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SC(C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)S[C@H](C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17(29-22-20-10-6-7-11-21(20)24-18(2)25-22)23(28)27-14-12-26(13-15-27)16-19-8-4-3-5-9-19/h3-11,17H,12-16H2,1-2H3/p+1/t17-/m1/s1