2-(hexadecoxymethyl)pentyl 8-(1-azoniabicyclo[2.2.2]octan-1-yl)octanoate

Systemtic Name: 2-(hexadecoxymethyl)pentyl 8-(1-azoniabicyclo[2.2.2]octan-1-yl)octanoate Openeye Name: 2-(hexadecoxymethyl)pentyl 8-quinuclidin-1-ium-1-yloctanoate CAS Name: 8-(1-azoniabicyclo[2.2.2]octan-1-yl)octanoic acid 2-(hexadecoxymethyl)pentyl ester IUPAC Name: 2-(hexadecoxymethyl)pentyl 8-(1-azoniabicyclo[2.2.2]octan-1-yl)octanoate Traditional Name: 8-quinuclidin-1-ium-1-ylcaprylic acid 2-(cetyloxymethyl)pentyl ester Formula: C37H72NO3+ MolecularWeight: 578.97248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCCCC[N+]12CCC(CC1)CC2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCC)COC(=O)CCCCCCC[N+]12CCC(CC1)CC2

InChI

InChI=1S/C37H72NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-22-32-40-33-36(23-4-2)34-41-37(39)24-20-17-16-18-21-28-38-29-25-35(26-30-38)27-31-38/h35-36H,3-34H2,1-2H3/q+1