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

Systemtic Name: (2R)-2-(4-methylquinolin-2-yl)sulfanyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]propan-1-one CAS Name: (2R)-2-[(4-methyl-2-quinolinyl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methylquinolin-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-[(4-methyl-2-quinolyl)thio]propan-1-one Formula: C24H28N3OS+ MolecularWeight: 406.56362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)S[C@H](C)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3OS/c1-18-16-23(25-22-11-7-6-10-21(18)22)29-19(2)24(28)27-14-12-26(13-15-27)17-20-8-4-3-5-9-20/h3-11,16,19H,12-15,17H2,1-2H3/p+1/t19-/m1/s1