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

Systemtic Name: 5-[(5-methylthiophen-2-yl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[(5-methyl-2-thienyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[(5-methyl-2-thiophenyl)methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[(5-methylthiophen-2-yl)methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[(5-methyl-2-thienyl)methylamino]-2-morpholin-4-ium-4-yl-benzoate Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-12-2-4-14(23-12)11-18-13-3-5-16(15(10-13)17(20)21)19-6-8-22-9-7-19/h2-5,10,18H,6-9,11H2,1H3,(H,20,21)