(2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-pyridin-2-yl-propanamide

Systemtic Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-pyridin-2-yl-propanamide Openeye Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyridyl)propanamide CAS Name: (2S)-2-methyl-3-(1-piperazin-4-iumylsulfonyl)-N-(2-pyridinyl)propanamide IUPAC Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-pyridin-2-ylpropanamide Traditional Name: (2S)-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-N-(2-pyridyl)propionamide Formula: C13H21N4O3S+ MolecularWeight: 313.39584

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC=CC=N2

Isomeric SMILES

C[C@H](CS(=O)(=O)N1CC[NH2+]CC1)C(=O)NC2=CC=CC=N2

InChI

InChI=1S/C13H20N4O3S/c1-11(13(18)16-12-4-2-3-5-15-12)10-21(19,20)17-8-6-14-7-9-17/h2-5,11,14H,6-10H2,1H3,(H,15,16,18)/p+1/t11-/m1/s1