2-(1-decylpyrrolidin-1-ium-1-yl)ethyl (E)-3-naphthalen-1-ylprop-2-enoate bromide

Systemtic Name: 2-(1-decylpyrrolidin-1-ium-1-yl)ethyl (E)-3-naphthalen-1-ylprop-2-enoate bromide Openeye Name: 2-(1-decylpyrrolidin-1-ium-1-yl)ethyl (E)-3-(1-naphthyl)prop-2-enoate bromide CAS Name: (E)-3-(1-naphthalenyl)-2-propenoic acid 2-(1-decyl-1-pyrrolidin-1-iumyl)ethyl ester bromide IUPAC Name: 2-(1-decylpyrrolidin-1-ium-1-yl)ethyl (E)-3-naphthalen-1-ylprop-2-enoate bromide Traditional Name: (E)-3-(1-naphthyl)acrylic acid 2-(1-decylpyrrolidin-1-ium-1-yl)ethyl ester bromide Formula: C29H42BrNO2 MolecularWeight: 516.55328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1(CCCC1)CCOC(=O)C=CC2=CC=CC3=CC=CC=C32.[Br-]

Isomeric SMILES

CCCCCCCCCC[N+]1(CCCC1)CCOC(=O)/C=C/C2=CC=CC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C29H42NO2.BrH/c1-2-3-4-5-6-7-8-11-21-30(22-12-13-23-30)24-25-32-29(31)20-19-27-17-14-16-26-15-9-10-18-28(26)27;/h9-10,14-20H,2-8,11-13,21-25H2,1H3;1H/q+1;/p-1/b20-19+;