(2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate CAS Name: 6-(1-quinolin-1-iumyl)hexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate Traditional Name: 6-quinolin-1-ium-1-ylhexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C36H58NO4+ MolecularWeight: 568.85002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C36H58NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-36-40-31-33(41-36)30-39-35(38)26-17-16-21-28-37-29-22-24-32-23-19-20-25-34(32)37/h19-20,22-25,29,33,36H,2-18,21,26-28,30-31H2,1H3/q+1