1-(4-aminophenyl)carbonyloxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium; 2-oxidanylethanoate

Systemtic Name: 1-(4-aminophenyl)carbonyloxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium; 2-oxidanylethanoate Openeye Name: 1-[(4-aminobenzoyl)oxymethyl]propyl-(1-isobutyl-3-methyl-butyl)ammonium; 2-hydroxyacetate CAS Name: 1-[(4-aminophenyl)-oxomethoxy]butan-2-yl-(2,6-dimethylheptan-4-yl)ammonium; 2-hydroxyacetate IUPAC Name: 1-(4-aminobenzoyl)oxybutan-2-yl-(2,6-dimethylheptan-4-yl)azanium; 2-hydroxyacetate Traditional Name: 1-[(4-aminobenzoyl)oxymethyl]propyl-(1-isobutyl-3-methyl-butyl)ammonium; glycolate Formula: C22H38N2O5 MolecularWeight: 410.54752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=C(C=C1)N)[NH2+]C(CC(C)C)CC(C)C.C(C(=O)[O-])O

Isomeric SMILES

CCC(COC(=O)C1=CC=C(C=C1)N)[NH2+]C(CC(C)C)CC(C)C.C(C(=O)[O-])O

InChI

InChI=1S/C20H34N2O2.C2H4O3/c1-6-18(22-19(11-14(2)3)12-15(4)5)13-24-20(23)16-7-9-17(21)10-8-16;3-1-2(4)5/h7-10,14-15,18-19,22H,6,11-13,21H2,1-5H3;3H,1H2,(H,4,5)