(2S)-2-azanyl-N-[6-(3-methylimidazol-3-ium-1-yl)hexyl]propanamide iodide

Systemtic Name: (2S)-2-azanyl-N-[6-(3-methylimidazol-3-ium-1-yl)hexyl]propanamide iodide Openeye Name: (2S)-2-amino-N-[6-(3-methylimidazol-3-ium-1-yl)hexyl]propanamide iodide CAS Name: (2S)-2-amino-N-[6-(3-methyl-1-imidazol-3-iumyl)hexyl]propanamide iodide IUPAC Name: (2S)-2-amino-N-[6-(3-methylimidazol-3-ium-1-yl)hexyl]propanamide iodide Traditional Name: (2S)-2-amino-N-[6-(3-methylimidazol-3-ium-1-yl)hexyl]propionamide iodide Formula: C13H25IN4O MolecularWeight: 380.26827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCCCCN1C=C[N+](=C1)C)N.[I-]

Isomeric SMILES

C[C@@H](C(=O)NCCCCCCN1C=C[N+](=C1)C)N.[I-]

InChI

InChI=1S/C13H24N4O.HI/c1-12(14)13(18)15-7-5-3-4-6-8-17-10-9-16(2)11-17;/h9-12H,3-8,14H2,1-2H3;1H/t12-;/m0./s1