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

Systemtic Name: 2-(1-decylpyrrolidin-1-ium-1-yl)ethanol; (E)-3-naphthalen-1-ylprop-2-enoate; bromide Openeye Name: 2-(1-decylpyrrolidin-1-ium-1-yl)ethanol; (E)-3-(1-naphthyl)prop-2-enoate; bromide CAS Name: 2-(1-decyl-1-pyrrolidin-1-iumyl)ethanol; (E)-3-(1-naphthalenyl)-2-propenoate; bromide IUPAC Name: 2-(1-decylpyrrolidin-1-ium-1-yl)ethanol; (E)-3-naphthalen-1-ylprop-2-enoate; bromide Traditional Name: 2-(1-decylpyrrolidin-1-ium-1-yl)ethanol; (E)-3-(1-naphthyl)acrylate; bromide Formula: C29H43BrNO3- MolecularWeight: 533.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1(CCCC1)CCO.C1=CC=C2C(=C1)C=CC=C2C=CC(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCCCC[N+]1(CCCC1)CCO.C1=CC=C2C(=C1)C=CC=C2/C=C/C(=O)[O-].[Br-]

InChI

InChI=1S/C16H34NO.C13H10O2.BrH/c1-2-3-4-5-6-7-8-9-12-17(15-16-18)13-10-11-14-17;14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11;/h18H,2-16H2,1H3;1-9H,(H,14,15);1H/q+1;;/p-2/b;9-8+;