diethyl-[2-[(E)-4-hexadecoxy-4-oxidanylidene-but-2-enoyl]oxyethyl]-prop-2-enyl-azanium

Systemtic Name: diethyl-[2-[(E)-4-hexadecoxy-4-oxidanylidene-but-2-enoyl]oxyethyl]-prop-2-enyl-azanium Openeye Name: allyl-diethyl-[2-[(E)-4-hexadecoxy-4-oxo-but-2-enoyl]oxyethyl]ammonium CAS Name: diethyl-[2-[(E)-4-hexadecoxy-1,4-dioxobut-2-enoxy]ethyl]-prop-2-enylammonium IUPAC Name: diethyl-[2-[(E)-4-hexadecoxy-4-oxobut-2-enoyl]oxyethyl]-prop-2-enylazanium Traditional Name: allyl-[2-[(E)-4-cetyloxy-4-keto-but-2-enoyl]oxyethyl]-diethyl-ammonium Formula: C29H54NO4+ MolecularWeight: 480.74336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCC[N+](CC)(CC)CC=C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCC[N+](CC)(CC)CC=C

InChI

InChI=1S/C29H54NO4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33-28(31)22-23-29(32)34-27-25-30(7-3,8-4)24-6-2/h6,22-23H,2,5,7-21,24-27H2,1,3-4H3/q+1/b23-22+