5-[diethyl(naphthalen-1-yl)azaniumyl]-4-methyl-2-methylidene-pentanoate

Systemtic Name: 5-[diethyl(naphthalen-1-yl)azaniumyl]-4-methyl-2-methylidene-pentanoate Openeye Name: 5-[diethyl(1-naphthyl)ammonio]-4-methyl-2-methylene-pentanoate CAS Name: 5-[diethyl(1-naphthalenyl)ammonio]-4-methyl-2-methylenepentanoate IUPAC Name: 5-[diethyl(naphthalen-1-yl)azaniumyl]-4-methyl-2-methylidenepentanoate Traditional Name: 2-[3-[diethyl(1-naphthyl)ammonio]-2-methyl-propyl]acrylate Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC(C)CC(=C)C(=O)[O-])C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC[N+](CC)(CC(C)CC(=C)C(=O)[O-])C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H27NO2/c1-5-22(6-2,15-16(3)14-17(4)21(23)24)20-13-9-11-18-10-7-8-12-19(18)20/h7-13,16H,4-6,14-15H2,1-3H3