[2-[(S)-ethylsulfinyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [2-[(S)-ethylsulfinyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [2-[(S)-ethylsulfinyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [2-[(S)-ethylsulfinyl]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [2-[(S)-ethylsulfinyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [2-[(S)-ethylsulfinyl]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C14H21N2O2S+ MolecularWeight: 281.39374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC[S@](=O)C1=CC=CC=C1C(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H20N2O2S/c1-3-19(18)13-7-5-4-6-12(13)14(17)16-10-8-15(2)9-11-16/h4-7H,3,8-11H2,1-2H3/p+1/t19-/m0/s1