N-[2-[1-[2-(heptanoylamino)ethyl]-2-methyl-3-oxidanylidene-piperazin-1-ium-1-yl]ethyl]heptanamide

Systemtic Name: N-[2-[1-[2-(heptanoylamino)ethyl]-2-methyl-3-oxidanylidene-piperazin-1-ium-1-yl]ethyl]heptanamide Openeye Name: N-[2-[1-[2-(heptanoylamino)ethyl]-2-methyl-3-oxo-piperazin-1-ium-1-yl]ethyl]heptanamide CAS Name: N-[2-[2-methyl-3-oxo-1-[2-(1-oxoheptylamino)ethyl]-1-piperazin-1-iumyl]ethyl]heptanamide IUPAC Name: N-[2-[1-[2-(heptanoylamino)ethyl]-2-methyl-3-oxopiperazin-1-ium-1-yl]ethyl]heptanamide Traditional Name: N-[2-[1-[2-(enanthylamino)ethyl]-3-keto-2-methyl-piperazin-1-ium-1-yl]ethyl]enanthamide Formula: C23H45N4O3+ MolecularWeight: 425.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NCC[N+]1(CCNC(=O)C1C)CCNC(=O)CCCCCC

Isomeric SMILES

CCCCCCC(=O)NCC[N+]1(CCNC(=O)C1C)CCNC(=O)CCCCCC

InChI

InChI=1S/C23H44N4O3/c1-4-6-8-10-12-21(28)24-14-17-27(19-16-26-23(30)20(27)3)18-15-25-22(29)13-11-9-7-5-2/h20H,4-19H2,1-3H3,(H2-,24,25,26,28,29,30)/p+1