(4-ethylpiperazin-4-ium-1-yl)-(2-propan-2-ylsulfanylphenyl)methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-(2-propan-2-ylsulfanylphenyl)methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-(2-isopropylsulfanylphenyl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[2-(propan-2-ylthio)phenyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-(2-propan-2-ylsulfanylphenyl)methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[2-(isopropylthio)phenyl]methanone Formula: C16H25N2OS+ MolecularWeight: 293.4475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2OS/c1-4-17-9-11-18(12-10-17)16(19)14-7-5-6-8-15(14)20-13(2)3/h5-8,13H,4,9-12H2,1-3H3/p+1