[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-3-quinolyl]methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolinyl]methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-3-yl]methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-3-quinolyl]methyl-(4-fluorobenzyl)ammonium Formula: C25H30FN4O2+ MolecularWeight: 437.529703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]CC4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H29FN4O2/c1-3-32-25(31)30-12-10-29(11-13-30)24-21(15-20-14-18(2)4-9-23(20)28-24)17-27-16-19-5-7-22(26)8-6-19/h4-9,14-15,27H,3,10-13,16-17H2,1-2H3/p+1