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

Systemtic Name: 2-(5-heptanoyloxy-1H-indol-3-yl)ethylazanium ethanoate Openeye Name: 2-(5-heptanoyloxy-1H-indol-3-yl)ethylammonium acetate CAS Name: 2-[5-(1-oxoheptoxy)-1H-indol-3-yl]ethylammonium acetate IUPAC Name: 2-(5-heptanoyloxy-1H-indol-3-yl)ethylazanium acetate Traditional Name: 2-(5-enanthyloxy-1H-indol-3-yl)ethylammonium acetate Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O2.C2H4O2/c1-2-3-4-5-6-17(20)21-14-7-8-16-15(11-14)13(9-10-18)12-19-16;1-2(3)4/h7-8,11-12,19H,2-6,9-10,18H2,1H3;1H3,(H,3,4)