octadecanoate; quinolin-1-ium

Systemtic Name: octadecanoate; quinolin-1-ium Openeye Name: octadecanoate; quinolin-1-ium CAS Name: octadecanoate; quinolin-1-ium IUPAC Name: octadecanoate; quinolin-1-ium Traditional Name: quinolin-1-ium; stearate Formula: C27H43NO2 MolecularWeight: 413.63582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C9H7N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-6-9-8(4-1)5-3-7-10-9/h2-17H2,1H3,(H,19,20);1-7H