5-(3-azaniumyl-5-hexyl-thiophen-2-yl)pentanoate

Systemtic Name: 5-(3-azaniumyl-5-hexyl-thiophen-2-yl)pentanoate Openeye Name: 5-(3-azaniumyl-5-hexyl-2-thienyl)pentanoate CAS Name: 5-(3-ammonio-5-hexyl-2-thiophenyl)pentanoate IUPAC Name: 5-(3-azaniumyl-5-hexylthiophen-2-yl)pentanoate Traditional Name: 5-(3-ammonio-5-hexyl-2-thienyl)valerate Formula: C15H25NO2S MolecularWeight: 283.4295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(S1)CCCCC(=O)[O-])[NH3+]

Isomeric SMILES

CCCCCCC1=CC(=C(S1)CCCCC(=O)[O-])[NH3+]

InChI

InChI=1S/C15H25NO2S/c1-2-3-4-5-8-12-11-13(16)14(19-12)9-6-7-10-15(17)18/h11H,2-10,16H2,1H3,(H,17,18)