2-(4-aminophenyl)carbonyloxyethyl-octan-2-yl-azanium; hydrogen sulfate

Systemtic Name: 2-(4-aminophenyl)carbonyloxyethyl-octan-2-yl-azanium; hydrogen sulfate Openeye Name: 2-(4-aminobenzoyl)oxyethyl-(1-methylheptyl)ammonium; hydrogen sulfate CAS Name: 2-[(4-aminophenyl)-oxomethoxy]ethyl-octan-2-ylammonium; hydrogen sulfate IUPAC Name: 2-(4-aminobenzoyl)oxyethyl-octan-2-ylazanium; hydrogen sulfate Traditional Name: 2-(4-aminobenzoyl)oxyethyl-(1-methylheptyl)ammonium bisulfate Formula: C17H30N2O6S MolecularWeight: 390.4949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2.H2O4S/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;1-5(2,3)4/h8-11,14,19H,3-7,12-13,18H2,1-2H3;(H2,1,2,3,4)