(3-carboxy-5-ethyl-thiophen-2-yl)-hexyl-methyl-propanoyl-azanium

Systemtic Name: (3-carboxy-5-ethyl-thiophen-2-yl)-hexyl-methyl-propanoyl-azanium Openeye Name: (3-carboxy-5-ethyl-2-thienyl)-hexyl-methyl-propanoyl-ammonium CAS Name: (3-carboxy-5-ethyl-2-thiophenyl)-hexyl-methyl-(1-oxopropyl)ammonium IUPAC Name: (3-carboxy-5-ethylthiophen-2-yl)-hexyl-methyl-propanoylazanium Traditional Name: (3-carboxy-5-ethyl-2-thienyl)-hexyl-methyl-propionyl-ammonium Formula: C17H28NO3S+ MolecularWeight: 326.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](C)(C1=C(C=C(S1)CC)C(=O)O)C(=O)CC

Isomeric SMILES

CCCCCC[N+](C)(C1=C(C=C(S1)CC)C(=O)O)C(=O)CC

InChI

InChI=1S/C17H27NO3S/c1-5-8-9-10-11-18(4,15(19)7-3)16-14(17(20)21)12-13(6-2)22-16/h12H,5-11H2,1-4H3/p+1