2-(5-pyridin-4-ylcarbonyloxy-1H-indol-3-yl)ethylazanium ethanoate

Systemtic Name: 2-(5-pyridin-4-ylcarbonyloxy-1H-indol-3-yl)ethylazanium ethanoate Openeye Name: 2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylammonium acetate CAS Name: 2-[5-[oxo(pyridin-4-yl)methoxy]-1H-indol-3-yl]ethylammonium acetate IUPAC Name: 2-[5-(pyridine-4-carbonyloxy)-1H-indol-3-yl]ethylazanium acetate Traditional Name: 2-(5-isonicotinoyloxy-1H-indol-3-yl)ethylammonium acetate Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1=CC2=C(C=C1OC(=O)C3=CC=NC=C3)C(=CN2)CC[NH3+]

Isomeric SMILES

CC(=O)[O-].C1=CC2=C(C=C1OC(=O)C3=CC=NC=C3)C(=CN2)CC[NH3+]

InChI

InChI=1S/C16H15N3O2.C2H4O2/c17-6-3-12-10-19-15-2-1-13(9-14(12)15)21-16(20)11-4-7-18-8-5-11;1-2(3)4/h1-2,4-5,7-10,19H,3,6,17H2;1H3,(H,3,4)