methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: methyl-[(3-methyl-2-thienyl)methyl]-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]ammonium CAS Name: methyl-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: methyl-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [2-keto-2-(4-tosylpiperazino)ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=C(C=CS3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=C(C=CS3)C

InChI

InChI=1S/C20H27N3O3S2/c1-16-4-6-18(7-5-16)28(25,26)23-11-9-22(10-12-23)20(24)15-21(3)14-19-17(2)8-13-27-19/h4-8,13H,9-12,14-15H2,1-3H3/p+1