1-(4-methylpiperazin-4-ium-1-yl)-3-phenylsulfanyl-propan-1-one

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-phenylsulfanyl-propan-1-one Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-phenylsulfanyl-propan-1-one CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-3-(phenylthio)-1-propanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-phenylsulfanylpropan-1-one Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-3-(phenylthio)propan-1-one Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2OS/c1-15-8-10-16(11-9-15)14(17)7-12-18-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/p+1