3-[5-(4-methylpyridin-1-ium-1-yl)pentanoylamino]propanoate

Systemtic Name: 3-[5-(4-methylpyridin-1-ium-1-yl)pentanoylamino]propanoate Openeye Name: 3-[5-(4-methylpyridin-1-ium-1-yl)pentanoylamino]propanoate CAS Name: 3-[[5-(4-methyl-1-pyridin-1-iumyl)-1-oxopentyl]amino]propanoate IUPAC Name: 3-[5-(4-methylpyridin-1-ium-1-yl)pentanoylamino]propanoate Traditional Name: 3-[5-(4-methylpyridin-1-ium-1-yl)pentanoylamino]propionate Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CCCCC(=O)NCCC(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CCCCC(=O)NCCC(=O)[O-]

InChI

InChI=1S/C14H20N2O3/c1-12-6-10-16(11-7-12)9-3-2-4-13(17)15-8-5-14(18)19/h6-7,10-11H,2-5,8-9H2,1H3,(H-,15,17,18,19)