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3-azanyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)benzoate

3-azanyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)benzoate

Systemtic Name:3-azanyl-4-(2-morpholin-4-ium-4-ylethylsulfanyl)benzoate
Openeye Name:3-amino-4-(2-morpholin-4-ium-4-ylethylsulfanyl)benzoate
CAS Name:3-amino-4-[2-(4-morpholin-4-iumyl)ethylthio]benzoate
IUPAC Name:3-amino-4-(2-morpholin-4-ium-4-ylethylsulfanyl)benzoate
Traditional Name:3-amino-4-(2-morpholin-4-ium-4-ylethylthio)benzoate
Formula: C13H18N2O3S
MolecularWeight: 282.35862
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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=C(C=C(C=C2)C(=O)[O-])N


Isomeric SMILES

C1COCC[NH+]1CCSC2=C(C=C(C=C2)C(=O)[O-])N


InChI

InChI=1S/C13H18N2O3S/c14-11-9-10(13(16)17)1-2-12(11)19-8-5-15-3-6-18-7-4-15/h1-2,9H,3-8,14H2,(H,16,17)


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