1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-(p-tolylsulfanyl)propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[(4-methylphenyl)thio]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-(p-tolylthio)propan-1-one Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C16H24N2OS/c1-3-17-9-11-18(12-10-17)16(19)8-13-20-15-6-4-14(2)5-7-15/h4-7H,3,8-13H2,1-2H3/p+1