ethyl 6-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]quinolin-1-ium-3-carboxylate Openeye Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-6-fluoro-quinolin-1-ium-3-carboxylate CAS Name: 6-fluoro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-4-ium-1-yl)-6-fluoroquinolin-1-ium-3-carboxylate Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-6-fluoro-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C23H26FN3O2+2 MolecularWeight: 395.469843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC[NH+](CC3)CC4=CC=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CC[NH+](CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C23H24FN3O2/c1-2-29-23(28)20-15-25-21-9-8-18(24)14-19(21)22(20)27-12-10-26(11-13-27)16-17-6-4-3-5-7-17/h3-9,14-15H,2,10-13,16H2,1H3/p+2