3-piperazin-4-ium-1-ylsulfonyl-N-pyridin-2-yl-propanamide

Systemtic Name: 3-piperazin-4-ium-1-ylsulfonyl-N-pyridin-2-yl-propanamide Openeye Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyridyl)propanamide CAS Name: 3-(1-piperazin-4-iumylsulfonyl)-N-(2-pyridinyl)propanamide IUPAC Name: 3-piperazin-4-ium-1-ylsulfonyl-N-pyridin-2-ylpropanamide Traditional Name: 3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyridyl)propionamide Formula: C12H19N4O3S+ MolecularWeight: 299.36926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC=CC=N2

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)CCC(=O)NC2=CC=CC=N2

InChI

InChI=1S/C12H18N4O3S/c17-12(15-11-3-1-2-5-14-11)4-10-20(18,19)16-8-6-13-7-9-16/h1-3,5,13H,4,6-10H2,(H,14,15,17)/p+1