2-(hexadecoxymethyl)pentyl 5-(1-azoniabicyclo[2.2.2]octan-1-yl)pentanoate

Systemtic Name: 2-(hexadecoxymethyl)pentyl 5-(1-azoniabicyclo[2.2.2]octan-1-yl)pentanoate Openeye Name: 2-(hexadecoxymethyl)pentyl 5-quinuclidin-1-ium-1-ylpentanoate CAS Name: 5-(1-azoniabicyclo[2.2.2]octan-1-yl)pentanoic acid 2-(hexadecoxymethyl)pentyl ester IUPAC Name: 2-(hexadecoxymethyl)pentyl 5-(1-azoniabicyclo[2.2.2]octan-1-yl)pentanoate Traditional Name: 5-quinuclidin-1-ium-1-ylvaleric acid 2-(cetyloxymethyl)pentyl ester Formula: C34H66NO3+ MolecularWeight: 536.89274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H66NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-29-37-30-33(20-4-2)31-38-34(36)21-17-18-25-35-26-22-32(23-27-35)24-28-35/h32-33H,3-31H2,1-2H3/q+1