N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoranyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]-3-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]-3-methyl-thiophene-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholino-quinolin-1-ium-3-yl)methyl]-3-methyl-thiophene-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[7-fluoro-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(7-fluoro-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]-3-methylthiophene-2-carboxamide Traditional Name: N-[(7-fluoro-2-morpholino-quinolin-1-ium-3-yl)methyl]-3-methyl-N-piperonyl-thiophene-2-carboxamide Formula: C28H27FN3O4S+ MolecularWeight: 520.595083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C([NH+]=C5C=C(C=CC5=C4)F)N6CCOCC6

Isomeric SMILES

CC1=C(SC=C1)C(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C([NH+]=C5C=C(C=CC5=C4)F)N6CCOCC6

InChI

InChI=1S/C28H26FN3O4S/c1-18-6-11-37-26(18)28(33)32(15-19-2-5-24-25(12-19)36-17-35-24)16-21-13-20-3-4-22(29)14-23(20)30-27(21)31-7-9-34-10-8-31/h2-6,11-14H,7-10,15-17H2,1H3/p+1