1-methyl-4-[6-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-[2-(3-methylphenoxy)ethylsulfanyl]-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[2-(3-methylphenoxy)ethylthio]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[2-(3-methylphenoxy)ethylthio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H25N3O3S2/c1-16-4-3-5-17(14-16)25-12-13-26-19-7-6-18(15-20-19)27(23,24)22-10-8-21(2)9-11-22/h3-7,14-15H,8-13H2,1-2H3/p+1