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

Systemtic Name: N-[(2S)-2-oxidanyl-3-piperazin-4-ium-1-yl-propyl]pentanamide Openeye Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]pentanamide CAS Name: N-[(2S)-2-hydroxy-3-(1-piperazin-4-iumyl)propyl]pentanamide IUPAC Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-ylpropyl]pentanamide Traditional Name: N-[(2S)-2-hydroxy-3-piperazin-4-ium-1-yl-propyl]valeramide Formula: C12H26N3O2+ MolecularWeight: 244.35374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC(CN1CC[NH2+]CC1)O

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O2/c1-2-3-4-12(17)14-9-11(16)10-15-7-5-13-6-8-15/h11,13,16H,2-10H2,1H3,(H,14,17)/p+1/t11-/m0/s1