N-[2-[(3-ethyl-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-[(3-ethyl-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[(3-ethyl-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-4-fluoro-benzamide CAS Name: N-[2-[(3-ethyl-7-methyl-2-quinolin-1-iumyl)amino]ethyl]-4-fluorobenzamide IUPAC Name: N-[2-[(3-ethyl-7-methylquinolin-1-ium-2-yl)amino]ethyl]-4-fluorobenzamide Traditional Name: N-[2-[(3-ethyl-7-methyl-quinolin-1-ium-2-yl)amino]ethyl]-4-fluoro-benzamide Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([NH+]=C2C=C(C=CC2=C1)C)NCCNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C([NH+]=C2C=C(C=CC2=C1)C)NCCNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O/c1-3-15-13-17-5-4-14(2)12-19(17)25-20(15)23-10-11-24-21(26)16-6-8-18(22)9-7-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,25)(H,24,26)/p+1