1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-N,N-dimethyl-piperidin-4-amine

Systemtic Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-N,N-dimethyl-piperidin-4-amine Openeye Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-N,N-dimethyl-piperidin-4-amine CAS Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-N,N-dimethyl-4-piperidinamine IUPAC Name: 1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-N,N-dimethylpiperidin-4-amine Traditional Name: [1-[3,4-bis[(9E,12E)-octadeca-9,12-dienoxy]butyl]-4-piperidyl]-dimethyl-amine Formula: C47H88N2O2 MolecularWeight: 713.21382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOCC(CCN1CCC(CC1)N(C)C)OCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOCC(CCN1CCC(CC1)N(C)C)OCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C47H88N2O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43-50-45-47(39-42-49-40-37-46(38-41-49)48(3)4)51-44-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,46-47H,5-12,17-18,23-45H2,1-4H3/b15-13+,16-14+,21-19+,22-20+