2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(8-chloranylnaphthalen-1-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[(8-chloro-1-naphthyl)sulfanyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(8-chloronaphthalen-1-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(8-chloro-1-naphthyl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C17H20ClN2OS+ MolecularWeight: 335.8715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C17H19ClN2OS/c1-19-8-10-20(11-9-19)16(21)12-22-15-7-3-5-13-4-2-6-14(18)17(13)15/h2-7H,8-12H2,1H3/p+1