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

Systemtic Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]octadecanoic acid Openeye Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]octadecanoic acid CAS Name: 2-[2-[1-[4-(dimethylamino)-1-oxobutyl]-1-piperidin-1-iumyl]ethyl]octadecanoic acid IUPAC Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]octadecanoic acid Traditional Name: 2-[2-[1-[4-(dimethylamino)butanoyl]piperidin-1-ium-1-yl]ethyl]stearic acid Formula: C31H61N2O3+ MolecularWeight: 509.82764

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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/p+1