2-[4-(2-heptadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl octadecanoate; methyl sulfate

Systemtic Name: 2-[4-(2-heptadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl octadecanoate; methyl sulfate Openeye Name: 2-[4-(2-heptadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl octadecanoate; methyl sulfate CAS Name: methyl sulfate; octadecanoic acid 2-[4-methyl-4-[2-(1-oxoheptadecoxy)ethyl]-1-piperazin-4-iumyl]ethyl ester IUPAC Name: 2-[4-(2-heptadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl octadecanoate; methyl sulfate Traditional Name: methyl sulfate; stearic acid 2-[4-(2-heptadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl ester Formula: C45H90N2O8S MolecularWeight: 819.2697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCCC.COS(=O)(=O)[O-]

InChI

InChI=1S/C44H87N2O4.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-43(47)49-41-37-45-35-38-46(3,39-36-45)40-42-50-44(48)34-32-30-28-26-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-42H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1