[3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium

Systemtic Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [3-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]phenyl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [3-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]benzyl]-[2-(methylthio)ethyl]ammonium Formula: C19H35N3O2S+2 MolecularWeight: 369.5651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=CC=CC(=C2)C[NH2+]CCSC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)C[NH2+]CCSC)O

InChI

InChI=1S/C19H33N3O2S/c1-3-21-8-10-22(11-9-21)15-18(23)16-24-19-6-4-5-17(13-19)14-20-7-12-25-2/h4-6,13,18,20,23H,3,7-12,14-16H2,1-2H3/p+2/t18-/m0/s1