(2S)-N-butyl-N,2-dimethyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O3S/c1-4-5-8-15(3)13(17)12(2)11-20(18,19)16-9-6-14-7-10-16/h12,14H,4-11H2,1-3H3/p+1/t12-/m1/s1