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

Systemtic Name: (2-heptadecyl-2-methyl-1,3-dioxan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate Openeye Name: (2-heptadecyl-2-methyl-1,3-dioxan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate CAS Name: 6-(1-quinolin-1-iumyl)hexanoic acid (2-heptadecyl-2-methyl-1,3-dioxan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-2-methyl-1,3-dioxan-4-yl)methyl 6-quinolin-1-ium-1-ylhexanoate Traditional Name: 6-quinolin-1-ium-1-ylhexanoic acid (2-heptadecyl-2-methyl-1,3-dioxan-4-yl)methyl ester Formula: C38H62NO4+ MolecularWeight: 596.90318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(OCCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1(OCCC(O1)COC(=O)CCCCC[N+]2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C38H62NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-38(2)42-32-28-35(43-38)33-41-37(40)27-18-17-22-30-39-31-23-25-34-24-19-20-26-36(34)39/h19-20,23-26,31,35H,3-18,21-22,27-30,32-33H2,1-2H3/q+1