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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H25N3O2/c1-10(2)7-12(17)14-8-11(16)9-15-5-3-13-4-6-15/h10-11,13,16H,3-9H2,1-2H3,(H,14,17)/p+1/t11-/m0/s1