2-[4-(cyanomethyl)quinolin-1-ium-1-yl]propanoic acid

Systemtic Name: 2-[4-(cyanomethyl)quinolin-1-ium-1-yl]propanoic acid Openeye Name: 2-[4-(cyanomethyl)quinolin-1-ium-1-yl]propanoic acid CAS Name: 2-[4-(cyanomethyl)-1-quinolin-1-iumyl]propanoic acid IUPAC Name: 2-[4-(cyanomethyl)quinolin-1-ium-1-yl]propanoic acid Traditional Name: 2-[4-(cyanomethyl)quinolin-1-ium-1-yl]propionic acid Formula: C14H13N2O2+ MolecularWeight: 241.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=CC=C(C2=CC=CC=C21)CC#N

Isomeric SMILES

CC(C(=O)O)[N+]1=CC=C(C2=CC=CC=C21)CC#N

InChI

InChI=1S/C14H12N2O2/c1-10(14(17)18)16-9-7-11(6-8-15)12-4-2-3-5-13(12)16/h2-5,7,9-10H,6H2,1H3/p+1