2-ethoxycarbonyl-2-ethyl-butanoate; trimethyl(phenyl)azanium

Systemtic Name: 2-ethoxycarbonyl-2-ethyl-butanoate; trimethyl(phenyl)azanium Openeye Name: 2-ethoxycarbonyl-2-ethyl-butanoate; trimethyl(phenyl)ammonium CAS Name: 2-ethoxycarbonyl-2-ethylbutanoate; trimethyl(phenyl)ammonium IUPAC Name: 2-ethoxycarbonyl-2-ethylbutanoate; trimethyl(phenyl)azanium Traditional Name: 2-carbethoxy-2-ethyl-butyrate; trimethyl(phenyl)ammonium Formula: C18H29NO4 MolecularWeight: 323.42716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)[O-])C(=O)OCC.C[N+](C)(C)C1=CC=CC=C1

Isomeric SMILES

CCC(CC)(C(=O)[O-])C(=O)OCC.C[N+](C)(C)C1=CC=CC=C1

InChI

InChI=1S/C9H14N.C9H16O4/c1-10(2,3)9-7-5-4-6-8-9;1-4-9(5-2,7(10)11)8(12)13-6-3/h4-8H,1-3H3;4-6H2,1-3H3,(H,10,11)/q+1;/p-1