5-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate

Systemtic Name: 5-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate Openeye Name: 5-[[3-methoxy-4-(2-thienylmethoxy)phenyl]methylamino]-2-morpholin-4-ium-4-yl-benzoate CAS Name: 5-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-2-(4-morpholin-4-iumyl)benzoate IUPAC Name: 5-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-2-morpholin-4-ium-4-ylbenzoate Traditional Name: 5-[[3-methoxy-4-(2-thenyloxy)benzyl]amino]-2-morpholin-4-ium-4-yl-benzoate Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OCC4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC(=C(C=C2)[NH+]3CCOCC3)C(=O)[O-])OCC4=CC=CS4

InChI

InChI=1S/C24H26N2O5S/c1-29-23-13-17(4-7-22(23)31-16-19-3-2-12-32-19)15-25-18-5-6-21(20(14-18)24(27)28)26-8-10-30-11-9-26/h2-7,12-14,25H,8-11,15-16H2,1H3,(H,27,28)