1-[(4-fluorophenyl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,8-naphthyridin-2-one

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-1,8-naphthyridin-2-one Openeye Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one CAS Name: 1-[(4-fluorophenyl)methyl]-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-1,8-naphthyridin-2-one IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(4-fluorobenzyl)-1,8-naphthyridin-2-one Formula: C27H26FN4O2+ MolecularWeight: 457.519343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(N=CC=C4)N(C3=O)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(N=CC=C4)N(C3=O)CC5=CC=C(C=C5)F

InChI

InChI=1S/C27H25FN4O2/c28-23-10-8-21(9-11-23)19-32-25-22(7-4-12-29-25)17-24(27(32)34)26(33)31-15-13-30(14-16-31)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2/p+1