N,N-dibutylcarbamate; diethyl-(2-hydroxyethyl)-(phenylmethyl)azanium; bromide

Systemtic Name: N,N-dibutylcarbamate; diethyl-(2-hydroxyethyl)-(phenylmethyl)azanium; bromide Openeye Name: benzyl-diethyl-(2-hydroxyethyl)ammonium; N,N-dibutylcarbamate; bromide CAS Name: N,N-dibutylcarbamate; diethyl-(2-hydroxyethyl)-(phenylmethyl)ammonium; bromide IUPAC Name: benzyl-diethyl-(2-hydroxyethyl)azanium; N,N-dibutylcarbamate; bromide Traditional Name: benzyl-diethyl-(2-hydroxyethyl)ammonium; N,N-dibutylcarbamate; bromide Formula: C22H40BrN2O3- MolecularWeight: 460.4686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)[O-].CC[N+](CC)(CCO)CC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCN(CCCC)C(=O)[O-].CC[N+](CC)(CCO)CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C13H22NO.C9H19NO2.BrH/c1-3-14(4-2,10-11-15)12-13-8-6-5-7-9-13;1-3-5-7-10(9(11)12)8-6-4-2;/h5-9,15H,3-4,10-12H2,1-2H3;3-8H2,1-2H3,(H,11,12);1H/q+1;;/p-2