2-ethyl-2-[(phenylmethyl)carbamoyl]butanoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 2-ethyl-2-[(phenylmethyl)carbamoyl]butanoate; trimethyl-(phenylmethyl)azanium Openeye Name: 2-(benzylcarbamoyl)-2-ethyl-butanoate; benzyl(trimethyl)ammonium CAS Name: 2-ethyl-2-[oxo-[(phenylmethyl)amino]methyl]butanoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: 2-(benzylcarbamoyl)-2-ethylbutanoate; benzyl(trimethyl)azanium Traditional Name: 2-(benzylcarbamoyl)-2-ethyl-butyrate; benzyl(trimethyl)ammonium Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NCC1=CC=CC=C1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

Isomeric SMILES

CCC(CC)(C(=O)NCC1=CC=CC=C1)C(=O)[O-].C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C14H19NO3.C10H16N/c1-3-14(4-2,13(17)18)12(16)15-10-11-8-6-5-7-9-11;1-11(2,3)9-10-7-5-4-6-8-10/h5-9H,3-4,10H2,1-2H3,(H,15,16)(H,17,18);4-8H,9H2,1-3H3/q;+1/p-1