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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O2/c1-12(2,3)11(17)14-8-10(16)9-15-6-4-13-5-7-15/h10,13,16H,4-9H2,1-3H3,(H,14,17)/p+1/t10-/m0/s1