butanoate; methanoyl-phenoxy-di(propan-2-yl)azanium; hydrochloride

Systemtic Name: butanoate; methanoyl-phenoxy-di(propan-2-yl)azanium; hydrochloride Openeye Name: butanoate; formyl-diisopropyl-phenoxy-ammonium; hydrochloride CAS Name: butanoate; formyl-phenoxy-di(propan-2-yl)ammonium; hydrochloride IUPAC Name: butanoate; formyl-phenoxy-di(propan-2-yl)azanium; hydrochloride Traditional Name: butyrate; formyl-diisopropyl-phenoxy-ammonium; hydrochloride Formula: C17H28ClNO4 MolecularWeight: 345.86152

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC(C)[N+](C=O)(C(C)C)OC1=CC=CC=C1.Cl

Isomeric SMILES

CCCC(=O)[O-].CC(C)[N+](C=O)(C(C)C)OC1=CC=CC=C1.Cl

InChI

InChI=1S/C13H20NO2.C4H8O2.ClH/c1-11(2)14(10-15,12(3)4)16-13-8-6-5-7-9-13;1-2-3-4(5)6;/h5-12H,1-4H3;2-3H2,1H3,(H,5,6);1H/q+1;;/p-1