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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O3S/c1-11(2)4-5-15-13(17)12(3)10-20(18,19)16-8-6-14-7-9-16/h11-12,14H,4-10H2,1-3H3,(H,15,17)/p+1/t12-/m1/s1