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

Systemtic Name: (2S)-N-[(2S)-butan-2-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonyl-propanamide Openeye Name: (2S)-2-methyl-N-[(1S)-1-methylpropyl]-3-piperazin-4-ium-1-ylsulfonyl-propanamide CAS Name: (2S)-N-[(2S)-butan-2-yl]-2-methyl-3-(1-piperazin-4-iumylsulfonyl)propanamide IUPAC Name: (2S)-N-[(2S)-butan-2-yl]-2-methyl-3-piperazin-4-ium-1-ylsulfonylpropanamide Traditional Name: (2S)-2-methyl-N-[(1S)-1-methylpropyl]-3-piperazin-4-ium-1-ylsulfonyl-propionamide Formula: C12H26N3O3S+ MolecularWeight: 292.41814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O3S/c1-4-11(3)14-12(16)10(2)9-19(17,18)15-7-5-13-6-8-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)/p+1/t10-,11+/m1/s1