carboxymethyl-dimethyl-[(E)-octadec-9-enyl]azanium; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: carboxymethyl-dimethyl-[(E)-octadec-9-enyl]azanium; 2-(trimethylazaniumyl)ethanoate Openeye Name: carboxymethyl-dimethyl-[(E)-octadec-9-enyl]ammonium; 2-(trimethylammonio)acetate CAS Name: carboxymethyl-dimethyl-[(E)-octadec-9-enyl]ammonium; 2-(trimethylammonio)acetate IUPAC Name: carboxymethyl-dimethyl-[(E)-octadec-9-enyl]azanium; 2-(trimethylazaniumyl)acetate Traditional Name: carboxymethyl-dimethyl-[(E)-octadec-9-enyl]ammonium; 2-(trimethylammonio)acetate Formula: C27H55N2O4+ MolecularWeight: 471.7366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC(=O)O.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+](C)(C)CC(=O)O.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C22H43NO2.C5H11NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25;1-6(2,3)4-5(7)8/h11-12H,4-10,13-21H2,1-3H3;4H2,1-3H3/p+1/b12-11+;