N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholino-quinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-fluoro-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]thiophene-2-carboxamide Traditional Name: N-[(7-fluoro-2-morpholino-quinolin-1-ium-3-yl)methyl]-N-piperonyl-thiophene-2-carboxamide Formula: C27H25FN3O4S+ MolecularWeight: 506.568503

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C3C=CC(=CC3=[NH+]2)F)CN(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

Isomeric SMILES

C1COCCN1C2=C(C=C3C=CC(=CC3=[NH+]2)F)CN(CC4=CC5=C(C=C4)OCO5)C(=O)C6=CC=CS6

InChI

InChI=1S/C27H24FN3O4S/c28-21-5-4-19-13-20(26(29-22(19)14-21)30-7-9-33-10-8-30)16-31(27(32)25-2-1-11-36-25)15-18-3-6-23-24(12-18)35-17-34-23/h1-6,11-14H,7-10,15-17H2/p+1