2-ethylhexanoate; quinolin-1-ium

Systemtic Name: 2-ethylhexanoate; quinolin-1-ium Openeye Name: 2-ethylhexanoate; quinolin-1-ium CAS Name: 2-ethylhexanoate; quinolin-1-ium IUPAC Name: 2-ethylhexanoate; quinolin-1-ium Traditional Name: 2-ethylhexanoate; quinolin-1-ium Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

Isomeric SMILES

CCCCC(CC)C(=O)[O-].C1=CC=C2C(=C1)C=CC=[NH+]2

InChI

InChI=1S/C9H7N.C8H16O2/c1-2-6-9-8(4-1)5-3-7-10-9;1-3-5-6-7(4-2)8(9)10/h1-7H;7H,3-6H2,1-2H3,(H,9,10)