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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O3S/c1-10(2)8-14-12(16)11(3)9-19(17,18)15-6-4-13-5-7-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)/p+1/t11-/m1/s1