(2-azanylcyclononyl)methyl-(4-hexadecoxybutyl)-methyl-[(E)-2-phenylethenyl]azanium

Systemtic Name: (2-azanylcyclononyl)methyl-(4-hexadecoxybutyl)-methyl-[(E)-2-phenylethenyl]azanium Openeye Name: (2-aminocyclononyl)methyl-(4-hexadecoxybutyl)-methyl-[(E)-styryl]ammonium CAS Name: (2-aminocyclononyl)methyl-(4-hexadecoxybutyl)-methyl-[(E)-2-phenylethenyl]ammonium IUPAC Name: (2-aminocyclononyl)methyl-(4-hexadecoxybutyl)-methyl-[(E)-2-phenylethenyl]azanium Traditional Name: (2-aminocyclononyl)methyl-(4-cetyloxybutyl)-methyl-[(E)-styryl]ammonium Formula: C39H71N2O+ MolecularWeight: 583.99384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCCC[N+](C)(CC1CCCCCCCC1N)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCCC[N+](C)(CC1CCCCCCCC1N)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C39H71N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-25-34-42-35-26-24-32-41(2,33-31-37-27-20-19-21-28-37)36-38-29-22-16-15-17-23-30-39(38)40/h19-21,27-28,31,33,38-39H,3-18,22-26,29-30,32,34-36,40H2,1-2H3/q+1/b33-31+