2-[2-[4-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperazin-1-ium-1-yl]ethoxy]ethanol

Systemtic Name: 2-[2-[4-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperazin-1-ium-1-yl]ethoxy]ethanol Openeye Name: 2-[2-[4-(4-methyl-6-methylsulfanyl-quinolin-1-ium-2-yl)piperazin-1-ium-1-yl]ethoxy]ethanol CAS Name: 2-[2-[4-[4-methyl-6-(methylthio)-2-quinolin-1-iumyl]-1-piperazin-1-iumyl]ethoxy]ethanol IUPAC Name: 2-[2-[4-(4-methyl-6-methylsulfanylquinolin-1-ium-2-yl)piperazin-1-ium-1-yl]ethoxy]ethanol Traditional Name: 2-[2-[4-[4-methyl-6-(methylthio)quinolin-1-ium-2-yl]piperazin-1-ium-1-yl]ethoxy]ethanol Formula: C19H29N3O2S+2 MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CC[NH+](CC3)CCOCCO

Isomeric SMILES

CC1=CC(=[NH+]C2=C1C=C(C=C2)SC)N3CC[NH+](CC3)CCOCCO

InChI

InChI=1S/C19H27N3O2S/c1-15-13-19(20-18-4-3-16(25-2)14-17(15)18)22-7-5-21(6-8-22)9-11-24-12-10-23/h3-4,13-14,23H,5-12H2,1-2H3/p+2