6-oxidanyl-6-oxidanylidene-hexanoate; 2-(5-propanoyloxy-1H-indol-3-yl)ethylazanium

Systemtic Name: 6-oxidanyl-6-oxidanylidene-hexanoate; 2-(5-propanoyloxy-1H-indol-3-yl)ethylazanium Openeye Name: 6-hydroxy-6-oxo-hexanoate; 2-(5-propanoyloxy-1H-indol-3-yl)ethylammonium CAS Name: 6-hydroxy-6-oxohexanoate; 2-[5-(1-oxopropoxy)-1H-indol-3-yl]ethylammonium IUPAC Name: 6-hydroxy-6-oxohexanoate; 2-(5-propanoyloxy-1H-indol-3-yl)ethylazanium Traditional Name: 6-hydroxy-6-keto-hexanoate; 2-(5-propionyloxy-1H-indol-3-yl)ethylammonium Formula: C19H26N2O6 MolecularWeight: 378.41954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O2.C6H10O4/c1-2-13(16)17-10-3-4-12-11(7-10)9(5-6-14)8-15-12;7-5(8)3-1-2-4-6(9)10/h3-4,7-8,15H,2,5-6,14H2,1H3;1-4H2,(H,7,8)(H,9,10)