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

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate CAS Name: 6-(1-pyridin-1-iumyl)hexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 6-pyridin-1-ium-1-ylhexanoate Traditional Name: 6-pyridin-1-ium-1-ylhexanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C32H56NO4+ MolecularWeight: 518.79134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCC[N+]2=CC=CC=C2

InChI

InChI=1S/C32H56NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-32-36-29-30(37-32)28-35-31(34)23-18-16-20-25-33-26-21-17-22-27-33/h17,21-22,26-27,30,32H,2-16,18-20,23-25,28-29H2,1H3/q+1