3-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]thio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2R)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SC(C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1S[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O2S/c1-3-9-24-18(26)20-21-19(24)27-15(2)17(25)23-12-10-22(11-13-23)14-16-7-5-4-6-8-16/h4-8,15H,3,9-14H2,1-2H3,(H,20,26)/p+1/t15-/m1/s1