2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]octadecanoate

Systemtic Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]octadecanoate Openeye Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]octadecanoate CAS Name: 2-[2-[1-[4-(dimethylamino)-1-oxobutyl]-1-piperidin-1-iumyl]ethyl]octadecanoate IUPAC Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]octadecanoate Traditional Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]stearate Formula: C31H60N2O3 MolecularWeight: 508.8197

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC[N+]1(CCCCC1)C(=O)CCCN(C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC[N+]1(CCCCC1)C(=O)CCCN(C)C)C(=O)[O-]

InChI

InChI=1S/C31H60N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-29(31(35)36)24-28-33(26-19-17-20-27-33)30(34)23-21-25-32(2)3/h29H,4-28H2,1-3H3