3-methyl-1,1-bis[(E)-octadec-9-enyl]azet-1-ium-2-one

Systemtic Name: 3-methyl-1,1-bis[(E)-octadec-9-enyl]azet-1-ium-2-one Openeye Name: 3-methyl-1,1-bis[(E)-octadec-9-enyl]azet-1-ium-2-one CAS Name: 3-methyl-1,1-bis[(E)-octadec-9-enyl]-2-azet-1-iumone IUPAC Name: 3-methyl-1,1-bis[(E)-octadec-9-enyl]azet-1-ium-2-one Traditional Name: 3-methyl-1,1-bis[(E)-octadec-9-enyl]azet-1-ium-2-one Formula: C40H74NO+ MolecularWeight: 585.02166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+]1(C=C(C1=O)C)CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+]1(C(=O)C(=C1)C)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C40H74NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(38-39(3)40(41)42)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,38H,4-17,22-37H2,1-3H3/q+1/b20-18+,21-19+