3-[[3-(3-chloranylpropyl)-1-methyl-pyrrol-1-ium-1-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3-(3-chloranylpropyl)-1-methyl-pyrrol-1-ium-1-yl]carbonylamino]propanoic acid Openeye Name: 3-[[3-(3-chloropropyl)-1-methyl-pyrrol-1-ium-1-carbonyl]amino]propanoic acid CAS Name: 3-[[[3-(3-chloropropyl)-1-methyl-1-pyrrol-1-iumyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3-(3-chloropropyl)-1-methylpyrrol-1-ium-1-carbonyl]amino]propanoic acid Traditional Name: 3-[[3-(3-chloropropyl)-1-methyl-pyrrol-1-ium-1-carbonyl]amino]propionic acid Formula: C12H18ClN2O3+ MolecularWeight: 273.73592

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=CC(=C1)CCCCl)C(=O)NCCC(=O)O

Isomeric SMILES

C[N+]1(C=CC(=C1)CCCCl)C(=O)NCCC(=O)O

InChI

InChI=1S/C12H17ClN2O3/c1-15(12(18)14-7-4-11(16)17)8-5-10(9-15)3-2-6-13/h5,8-9H,2-4,6-7H2,1H3,(H-,14,16,17,18)/p+1