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

Systemtic Name: N-[[2-(azepan-1-yl)-7-fluoranyl-quinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)propanamide Openeye Name: N-[[2-(azepan-1-yl)-7-fluoro-quinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)propanamide CAS Name: N-[[2-(1-azepanyl)-7-fluoro-3-quinolin-1-iumyl]methyl]-N-(2-methoxyethyl)propanamide IUPAC Name: N-[[2-(azepan-1-yl)-7-fluoroquinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)propanamide Traditional Name: N-[[2-(azepan-1-yl)-7-fluoro-quinolin-1-ium-3-yl]methyl]-N-(2-methoxyethyl)propionamide Formula: C22H31FN3O2+ MolecularWeight: 388.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCOC)CC1=C([NH+]=C2C=C(C=CC2=C1)F)N3CCCCCC3

Isomeric SMILES

CCC(=O)N(CCOC)CC1=C([NH+]=C2C=C(C=CC2=C1)F)N3CCCCCC3

InChI

InChI=1S/C22H30FN3O2/c1-3-21(27)26(12-13-28-2)16-18-14-17-8-9-19(23)15-20(17)24-22(18)25-10-6-4-5-7-11-25/h8-9,14-15H,3-7,10-13,16H2,1-2H3/p+1