3-[2-(1H-indol-5-yloxy)-2-oxidanylidene-ethyl]hexylazanium ethanoate

Systemtic Name: 3-[2-(1H-indol-5-yloxy)-2-oxidanylidene-ethyl]hexylazanium ethanoate Openeye Name: 3-[2-(1H-indol-5-yloxy)-2-oxo-ethyl]hexylammonium acetate CAS Name: 3-[2-(1H-indol-5-yloxy)-2-oxoethyl]hexylammonium acetate IUPAC Name: 3-[2-(1H-indol-5-yloxy)-2-oxoethyl]hexylazanium acetate Traditional Name: 3-[2-(1H-indol-5-yloxy)-2-keto-ethyl]hexylammonium acetate Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC[NH3+])CC(=O)OC1=CC2=C(C=C1)NC=C2.CC(=O)[O-]

Isomeric SMILES

CCCC(CC[NH3+])CC(=O)OC1=CC2=C(C=C1)NC=C2.CC(=O)[O-]

InChI

InChI=1S/C16H22N2O2.C2H4O2/c1-2-3-12(6-8-17)10-16(19)20-14-4-5-15-13(11-14)7-9-18-15;1-2(3)4/h4-5,7,9,11-12,18H,2-3,6,8,10,17H2,1H3;1H3,(H,3,4)