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

Systemtic Name: 4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-oxidanyl-N-(phenylmethyl)naphthalene-2-carboxamide Openeye Name: N-benzyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxamide CAS Name: 4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-3-hydroxy-N-(phenylmethyl)-2-naphthalenecarboxamide IUPAC Name: N-benzyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxynaphthalene-2-carboxamide Traditional Name: N-benzyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-3-hydroxy-2-naphthamide Formula: C29H29FN3O2+ MolecularWeight: 470.557863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=CC3=CC=CC=C32)C(=O)NCC4=CC=CC=C4)O)C5=CC=CC=C5F

InChI

InChI=1S/C29H28FN3O2/c30-26-12-6-7-13-27(26)33-16-14-32(15-17-33)20-25-23-11-5-4-10-22(23)18-24(28(25)34)29(35)31-19-21-8-2-1-3-9-21/h1-13,18,34H,14-17,19-20H2,(H,31,35)/p+1