3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propylazanium

Systemtic Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propylazanium Openeye Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propylammonium CAS Name: 3-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]propylammonium IUPAC Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propylazanium Traditional Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propylammonium Formula: C12H23N3O2S2+2 MolecularWeight: 305.45992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CCC[NH3+]

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CCC[NH3+]

InChI

InChI=1S/C12H21N3O2S2/c1-11-3-4-12(18-11)19(16,17)15-9-7-14(8-10-15)6-2-5-13/h3-4H,2,5-10,13H2,1H3/p+2