1-propylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-propylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Openeye Name: 1-propylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium CAS Name: 1-propylsulfonyl-4-(3-pyridin-1-iumylmethyl)piperazin-4-ium IUPAC Name: 1-propylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Traditional Name: 1-propylsulfonyl-4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium Formula: C13H23N3O2S+2 MolecularWeight: 285.40562

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=C[NH+]=CC=C2

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=C[NH+]=CC=C2

InChI

InChI=1S/C13H21N3O2S/c1-2-10-19(17,18)16-8-6-15(7-9-16)12-13-4-3-5-14-11-13/h3-5,11H,2,6-10,12H2,1H3/p+2