N-[(2S)-butan-2-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

Systemtic Name: N-[(2S)-butan-2-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: 2,2-dimethyl-N-[(1S)-1-methylpropyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: N-[(2S)-butan-2-yl]-2,2-dimethyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: N-[(2S)-butan-2-yl]-2,2-dimethyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: 2,2-dimethyl-N-[(1S)-1-methylpropyl]-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C13H28N3O3S+ MolecularWeight: 306.44472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)(C)CS(=O)(=O)N1CC[NH2+]CC1

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O3S/c1-5-11(2)15-12(17)13(3,4)10-20(18,19)16-8-6-14-7-9-16/h11,14H,5-10H2,1-4H3,(H,15,17)/p+1/t11-/m0/s1