[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-methyl-(3-thenyl)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=CSC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+](C)CC3=CSC=C3)C

InChI

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