1-[6-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(2-methoxy-5-methylphenyl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[(2-methoxy-5-methylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(2-methoxy-5-methyl-benzyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C19H25N3O3S2/c1-15-4-6-18(25-3)16(12-15)14-26-19-7-5-17(13-20-19)27(23,24)22-10-8-21(2)9-11-22/h4-7,12-13H,8-11,14H2,1-3H3/p+1