(4-ethylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(methylthio)phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(2-methylsulfanylphenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(methylthio)phenyl]methanone Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SC

InChI

InChI=1S/C14H20N2OS/c1-3-15-8-10-16(11-9-15)14(17)12-6-4-5-7-13(12)18-2/h4-7H,3,8-11H2,1-2H3/p+1