N-[[2-(azepan-1-yl)-7-fluoranyl-quinolin-1-ium-3-yl]methyl]-2,3-dimethoxy-N-(2-methoxyethyl)benzamide

Systemtic Name: N-[[2-(azepan-1-yl)-7-fluoranyl-quinolin-1-ium-3-yl]methyl]-2,3-dimethoxy-N-(2-methoxyethyl)benzamide Openeye Name: N-[[2-(azepan-1-yl)-7-fluoro-quinolin-1-ium-3-yl]methyl]-2,3-dimethoxy-N-(2-methoxyethyl)benzamide CAS Name: N-[[2-(1-azepanyl)-7-fluoro-3-quinolin-1-iumyl]methyl]-2,3-dimethoxy-N-(2-methoxyethyl)benzamide IUPAC Name: N-[[2-(azepan-1-yl)-7-fluoroquinolin-1-ium-3-yl]methyl]-2,3-dimethoxy-N-(2-methoxyethyl)benzamide Traditional Name: N-[[2-(azepan-1-yl)-7-fluoro-quinolin-1-ium-3-yl]methyl]-2,3-dimethoxy-N-(2-methoxyethyl)benzamide Formula: C28H35FN3O4+ MolecularWeight: 496.593603

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=C([NH+]=C2C=C(C=CC2=C1)F)N3CCCCCC3)C(=O)C4=C(C(=CC=C4)OC)OC

Isomeric SMILES

COCCN(CC1=C([NH+]=C2C=C(C=CC2=C1)F)N3CCCCCC3)C(=O)C4=C(C(=CC=C4)OC)OC

InChI

InChI=1S/C28H34FN3O4/c1-34-16-15-32(28(33)23-9-8-10-25(35-2)26(23)36-3)19-21-17-20-11-12-22(29)18-24(20)30-27(21)31-13-6-4-5-7-14-31/h8-12,17-18H,4-7,13-16,19H2,1-3H3/p+1