(7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (7-fluoranyl-2-methyl-quinolin-3-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(7-fluoro-2-methyl-3-quinolyl)methanone CAS Name: (7-fluoro-2-methyl-3-quinolinyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(7-fluoro-2-methyl-3-quinolyl)methanone Formula: C22H23FN3O+ MolecularWeight: 364.435923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22FN3O/c1-16-20(13-18-7-8-19(23)14-21(18)24-16)22(27)26-11-9-25(10-12-26)15-17-5-3-2-4-6-17/h2-8,13-14H,9-12,15H2,1H3/p+1