5-(1H-indol-3-yl)pentyl-dimethyl-azanium; 6-oxidanyl-6-oxidanylidene-hexanoate

Systemtic Name: 5-(1H-indol-3-yl)pentyl-dimethyl-azanium; 6-oxidanyl-6-oxidanylidene-hexanoate Openeye Name: 6-hydroxy-6-oxo-hexanoate; 5-(1H-indol-3-yl)pentyl-dimethyl-ammonium CAS Name: 6-hydroxy-6-oxohexanoate; 5-(1H-indol-3-yl)pentyl-dimethylammonium IUPAC Name: 6-hydroxy-6-oxohexanoate; 5-(1H-indol-3-yl)pentyl-dimethylazanium Traditional Name: 6-hydroxy-6-keto-hexanoate; 5-(1H-indol-3-yl)pentyl-dimethyl-ammonium Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCCCC1=CNC2=CC=CC=C21.C(CCC(=O)[O-])CC(=O)O

Isomeric SMILES

C[NH+](C)CCCCCC1=CNC2=CC=CC=C21.C(CCC(=O)[O-])CC(=O)O

InChI

InChI=1S/C15H22N2.C6H10O4/c1-17(2)11-7-3-4-8-13-12-16-15-10-6-5-9-14(13)15;7-5(8)3-1-2-4-6(9)10/h5-6,9-10,12,16H,3-4,7-8,11H2,1-2H3;1-4H2,(H,7,8)(H,9,10)