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

Systemtic Name: 1-propylsulfonyl-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-propylsulfonyl-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-propylsulfonyl-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-propylsulfonyl-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-propylsulfonyl-4-(4-pyridylmethyl)piperazin-4-ium Formula: C13H22N3O2S+ MolecularWeight: 284.39768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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