(3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl-(2-thiophen-2-ylethyl)azanium

Systemtic Name: (3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl-(2-thiophen-2-ylethyl)azanium Openeye Name: (3-ethoxycarbonylisoxazol-5-yl)methyl-[2-(2-thienyl)ethyl]ammonium CAS Name: (3-ethoxycarbonyl-5-isoxazolyl)methyl-(2-thiophen-2-ylethyl)ammonium IUPAC Name: (3-ethoxycarbonyl-1,2-oxazol-5-yl)methyl-(2-thiophen-2-ylethyl)azanium Traditional Name: (3-carbethoxyisoxazol-5-yl)methyl-[2-(2-thienyl)ethyl]ammonium Formula: C13H17N2O3S+ MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)C[NH2+]CCC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)C[NH2+]CCC2=CC=CS2

InChI

InChI=1S/C13H16N2O3S/c1-2-17-13(16)12-8-10(18-15-12)9-14-6-5-11-4-3-7-19-11/h3-4,7-8,14H,2,5-6,9H2,1H3/p+1