2-ethyl-N-[(2S)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]butanamide

Systemtic Name: 2-ethyl-N-[(2S)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]butanamide Openeye Name: 2-ethyl-N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]butanamide CAS Name: 2-ethyl-N-[(2S)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]butanamide IUPAC Name: 2-ethyl-N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]butanamide Traditional Name: 2-ethyl-N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]butyramide Formula: C13H28N3O2+ MolecularWeight: 258.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCC(CN1CC[NH2+]CC1)O

Isomeric SMILES

CCC(CC)C(=O)NC[C@@H](CN1CC[NH2+]CC1)O

InChI

InChI=1S/C13H27N3O2/c1-3-11(4-2)13(18)15-9-12(17)10-16-7-5-14-6-8-16/h11-12,14,17H,3-10H2,1-2H3,(H,15,18)/p+1/t12-/m0/s1