2,6-bis(chloranyl)-4-[1-oxidanylidene-4-(phenylmethyl)-2-propyl-piperazin-1-ium-2-yl]sulfanyl-phenol

Systemtic Name: 2,6-bis(chloranyl)-4-[1-oxidanylidene-4-(phenylmethyl)-2-propyl-piperazin-1-ium-2-yl]sulfanyl-phenol Openeye Name: 4-(4-benzyl-1-oxo-2-propyl-piperazin-1-ium-2-yl)sulfanyl-2,6-dichloro-phenol CAS Name: 2,6-dichloro-4-[[1-oxo-4-(phenylmethyl)-2-propyl-2-piperazin-1-iumyl]thio]phenol IUPAC Name: 4-(4-benzyl-1-oxo-2-propylpiperazin-1-ium-2-yl)sulfanyl-2,6-dichlorophenol Traditional Name: 4-[(4-benzyl-1-keto-2-propyl-piperazin-1-ium-2-yl)thio]-2,6-dichloro-phenol Formula: C20H23Cl2N2O2S+ MolecularWeight: 426.37982

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CN(CC[N+]1=O)CC2=CC=CC=C2)SC3=CC(=C(C(=C3)Cl)O)Cl

Isomeric SMILES

CCCC1(CN(CC[N+]1=O)CC2=CC=CC=C2)SC3=CC(=C(C(=C3)Cl)O)Cl

InChI

InChI=1S/C20H22Cl2N2O2S/c1-2-8-20(27-16-11-17(21)19(25)18(22)12-16)14-23(9-10-24(20)26)13-15-6-4-3-5-7-15/h3-7,11-12H,2,8-10,13-14H2,1H3/p+1