1-ethylsulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-ethylsulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-ethylsulfonyl-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-ethylsulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-ethylsulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-esyl-4-pyridin-1-ium-2-yl-piperazine Formula: C11H18N3O2S+ MolecularWeight: 256.34452

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C11H17N3O2S/c1-2-17(15,16)14-9-7-13(8-10-14)11-5-3-4-6-12-11/h3-6H,2,7-10H2,1H3/p+1