trimethyl-[(Z)-2-[(Z)-octadec-9-enoyl]-4-oxidanylidene-henicos-12-enyl]azanium

Systemtic Name: trimethyl-[(Z)-2-[(Z)-octadec-9-enoyl]-4-oxidanylidene-henicos-12-enyl]azanium Openeye Name: trimethyl-[(Z)-2-[(Z)-octadec-9-enoyl]-4-oxo-henicos-12-enyl]ammonium CAS Name: trimethyl-[(Z)-4-oxo-2-[(Z)-1-oxooctadec-9-enyl]heneicos-12-enyl]ammonium IUPAC Name: trimethyl-[(Z)-2-[(Z)-octadec-9-enoyl]-4-oxohenicos-12-enyl]azanium Traditional Name: [(Z)-4-keto-2-[(Z)-octadec-9-enoyl]heneicos-12-enyl]-trimethyl-ammonium Formula: C42H80NO2+ MolecularWeight: 631.0901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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