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

Systemtic Name: (2R)-2-(1-oxidanidylpyridin-1-ium-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-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: (2R)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H23N3O2S/c1-16(25-18-9-5-6-10-22(18)24)19(23)21-13-11-20(12-14-21)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3/p+1/t16-/m1/s1