5-(1H-indol-3-yl)pentylazanium; 6-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: 5-(1H-indol-3-yl)pentylazanium; 6-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: 6-hydroxy-6-oxo-hexanoate; 5-(1H-indol-3-yl)pentylammonium CAS Name: 6-hydroxy-6-oxohexanoate; 5-(1H-indol-3-yl)pentylammonium IUPAC Name: 6-hydroxy-6-oxohexanoate; 5-(1H-indol-3-yl)pentylazanium Traditional Name: 6-hydroxy-6-keto-hexanoate; 5-(1H-indol-3-yl)pentylammonium Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCCC[NH3+].C(CCC(=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCCC[NH3+].C(CCC(=O)[O-])CC(=O)O

InChI

InChI=1S/C13H18N2.C6H10O4/c14-9-5-1-2-6-11-10-15-13-8-4-3-7-12(11)13;7-5(8)3-1-2-4-6(9)10/h3-4,7-8,10,15H,1-2,5-6,9,14H2;1-4H2,(H,7,8)(H,9,10)