2-[4-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-piperazin-4-ium-1-yl]-1-phenyl-ethanone

Systemtic Name: 2-[4-(2-hydroxyethyl)-4-propan-2-ylsulfanyl-piperazin-4-ium-1-yl]-1-phenyl-ethanone Openeye Name: 2-[4-(2-hydroxyethyl)-4-isopropylsulfanyl-piperazin-4-ium-1-yl]-1-phenyl-ethanone CAS Name: 2-[4-(2-hydroxyethyl)-4-(propan-2-ylthio)-1-piperazin-4-iumyl]-1-phenylethanone IUPAC Name: 2-[4-(2-hydroxyethyl)-4-propan-2-ylsulfanylpiperazin-4-ium-1-yl]-1-phenylethanone Traditional Name: 2-[4-(2-hydroxyethyl)-4-(isopropylthio)piperazin-4-ium-1-yl]-1-phenyl-ethanone Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S[N+]1(CCN(CC1)CC(=O)C2=CC=CC=C2)CCO

Isomeric SMILES

CC(C)S[N+]1(CCN(CC1)CC(=O)C2=CC=CC=C2)CCO

InChI

InChI=1S/C17H27N2O2S/c1-15(2)22-19(12-13-20)10-8-18(9-11-19)14-17(21)16-6-4-3-5-7-16/h3-7,15,20H,8-14H2,1-2H3/q+1