1-methyl-4-[6-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-[[6-[(4-isopropylphenyl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[[6-[(4-propan-2-ylphenyl)methylthio]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-[[6-[(4-isopropylbenzyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C20H28N3O2S2+ MolecularWeight: 406.58522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2S2/c1-16(2)18-6-4-17(5-7-18)15-26-20-9-8-19(14-21-20)27(24,25)23-12-10-22(3)11-13-23/h4-9,14,16H,10-13,15H2,1-3H3/p+1