2-(4-aminophenyl)carbonyloxyethyl-octan-2-yl-azanium ethanoate

Systemtic Name: 2-(4-aminophenyl)carbonyloxyethyl-octan-2-yl-azanium ethanoate Openeye Name: 2-(4-aminobenzoyl)oxyethyl-(1-methylheptyl)ammonium acetate CAS Name: 2-[(4-aminophenyl)-oxomethoxy]ethyl-octan-2-ylammonium acetate IUPAC Name: 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium acetate Traditional Name: 2-(4-aminobenzoyl)oxyethyl-(1-methylheptyl)ammonium acetate Formula: C19H32N2O4 MolecularWeight: 352.46838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.CC(=O)[O-]

Isomeric SMILES

CCCCCCC(C)[NH2+]CCOC(=O)C1=CC=C(C=C1)N.CC(=O)[O-]

InChI

InChI=1S/C17H28N2O2.C2H4O2/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;1-2(3)4/h8-11,14,19H,3-7,12-13,18H2,1-2H3;1H3,(H,3,4)