4-[(5-ethylthiophen-2-yl)methylazaniumyl]butanoate

Systemtic Name: 4-[(5-ethylthiophen-2-yl)methylazaniumyl]butanoate Openeye Name: 4-[(5-ethyl-2-thienyl)methylammonio]butanoate CAS Name: 4-[(5-ethyl-2-thiophenyl)methylammonio]butanoate IUPAC Name: 4-[(5-ethylthiophen-2-yl)methylazaniumyl]butanoate Traditional Name: 4-[(5-ethyl-2-thienyl)methylammonio]butyrate Formula: C11H17NO2S MolecularWeight: 227.32318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C[NH2+]CCCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C[NH2+]CCCC(=O)[O-]

InChI

InChI=1S/C11H17NO2S/c1-2-9-5-6-10(15-9)8-12-7-3-4-11(13)14/h5-6,12H,2-4,7-8H2,1H3,(H,13,14)