methyl 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C23H24FN2O3+ MolecularWeight: 395.446663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN2O3/c1-29-23(28)20-14-16-4-2-3-5-19(16)21(22(20)27)15-25-10-12-26(13-11-25)18-8-6-17(24)7-9-18/h2-9,14,27H,10-13,15H2,1H3/p+1