5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[[4-(methylthio)phenyl]methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(4-methylsulfanylphenyl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[[4-(methylthio)benzyl]amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C19H22N2O3S/c1-25-16-5-2-14(3-6-16)13-20-15-4-7-18(17(12-15)19(22)23)21-8-10-24-11-9-21/h2-7,12,20H,8-11,13H2,1H3,(H,22,23)