3,3-dimethyl-N-[3-(1-octadecanoyl-4-oxidanylidene-piperazine-1,4-diium-1-yl)propyl]-2,4-bis(oxidanyl)butanamide

Systemtic Name: 3,3-dimethyl-N-[3-(1-octadecanoyl-4-oxidanylidene-piperazine-1,4-diium-1-yl)propyl]-2,4-bis(oxidanyl)butanamide Openeye Name: 2,4-dihydroxy-3,3-dimethyl-N-[3-(1-octadecanoyl-4-oxo-piperazine-1,4-diium-1-yl)propyl]butanamide CAS Name: 2,4-dihydroxy-3,3-dimethyl-N-[3-[4-oxo-1-(1-oxooctadecyl)-1-piperazine-1,4-diiumyl]propyl]butanamide IUPAC Name: 2,4-dihydroxy-3,3-dimethyl-N-[3-(1-octadecanoyl-4-oxopiperazine-1,4-diium-1-yl)propyl]butanamide Traditional Name: 2,4-dihydroxy-N-[3-(4-keto-1-stearoyl-piperazine-1,4-diium-1-yl)propyl]-3,3-dimethyl-butyramide Formula: C31H61N3O5+2 MolecularWeight: 555.83314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[N+]1(CC[N+](=O)CC1)CCCNC(=O)C(C(C)(C)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[N+]1(CC[N+](=O)CC1)CCCNC(=O)C(C(C)(C)CO)O

InChI

InChI=1S/C31H60N3O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-28(36)34(25-22-33(39)23-26-34)24-19-21-32-30(38)29(37)31(2,3)27-35/h29,35,37H,4-27H2,1-3H3/q+1/p+1