[(9E,30E)-18,22-bis(oxidanylidene)nonatriaconta-9,30-dien-19-yl]-trimethyl-azanium

Systemtic Name: [(9E,30E)-18,22-bis(oxidanylidene)nonatriaconta-9,30-dien-19-yl]-trimethyl-azanium Openeye Name: trimethyl-[(E)-1-[(E)-octadec-9-enoyl]-4-oxo-henicos-12-enyl]ammonium CAS Name: [(9E,30E)-18,22-dioxononatriaconta-9,30-dien-19-yl]-trimethylammonium IUPAC Name: [(9E,30E)-18,22-dioxononatriaconta-9,30-dien-19-yl]-trimethylazanium Traditional Name: [(E)-4-keto-1-[(E)-octadec-9-enoyl]heneicos-12-enyl]-trimethyl-ammonium Formula: C42H80NO2+ MolecularWeight: 631.0901

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)CCC(C(=O)CCCCCCCC=CCCCCCCCC)[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)CCC(C(=O)CCCCCCC/C=C/CCCCCCCC)[N+](C)(C)C

InChI

InChI=1S/C42H80NO2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-40(44)38-39-41(43(3,4)5)42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,41H,6-19,24-39H2,1-5H3/q+1/b22-20+,23-21+