2-(5-butanoyloxy-1H-indol-3-yl)ethylazanium ethanoate

Systemtic Name: 2-(5-butanoyloxy-1H-indol-3-yl)ethylazanium ethanoate Openeye Name: 2-(5-butanoyloxy-1H-indol-3-yl)ethylammonium acetate CAS Name: 2-[5-(1-oxobutoxy)-1H-indol-3-yl]ethylammonium acetate IUPAC Name: 2-(5-butanoyloxy-1H-indol-3-yl)ethylazanium acetate Traditional Name: 2-(5-butyryloxy-1H-indol-3-yl)ethylammonium acetate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)NC=C2CC[NH3+].CC(=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)NC=C2CC[NH3+].CC(=O)[O-]

InChI

InChI=1S/C14H18N2O2.C2H4O2/c1-2-3-14(17)18-11-4-5-13-12(8-11)10(6-7-15)9-16-13;1-2(3)4/h4-5,8-9,16H,2-3,6-7,15H2,1H3;1H3,(H,3,4)