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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O3S/c1-3-4-5-14-12(16)11(2)10-19(17,18)15-8-6-13-7-9-15/h11,13H,3-10H2,1-2H3,(H,14,16)/p+1/t11-/m1/s1