methyl-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-bis(3-oxidanylidene-3-tetradecoxy-propyl)azanium

Systemtic Name: methyl-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-bis(3-oxidanylidene-3-tetradecoxy-propyl)azanium Openeye Name: methyl-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-bis(3-oxo-3-tetradecoxy-propyl)ammonium CAS Name: methyl-[3-(1-methyl-1-piperidin-1-iumyl)propyl]-bis(3-oxo-3-tetradecoxypropyl)ammonium IUPAC Name: methyl-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-bis(3-oxo-3-tetradecoxypropyl)azanium Traditional Name: bis(3-keto-3-myristyloxy-propyl)-methyl-[3-(1-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C44H88N2O4+2 MolecularWeight: 709.18052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CC[N+](C)(CCC[N+]1(CCCCC1)C)CCC(=O)OCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CC[N+](C)(CCC[N+]1(CCCCC1)C)CCC(=O)OCCCCCCCCCCCCCC

InChI

InChI=1S/C44H88N2O4/c1-5-7-9-11-13-15-17-19-21-23-25-30-41-49-43(47)33-39-46(4,38-32-37-45(3)35-28-27-29-36-45)40-34-44(48)50-42-31-26-24-22-20-18-16-14-12-10-8-6-2/h5-42H2,1-4H3/q+2