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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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