N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]aniline Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(2-chloro-6-fluoro-phenyl)methyl]aniline CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-N-[(2-chloro-6-fluorophenyl)methyl]aniline Traditional Name: [4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-(2-chloro-6-fluoro-benzyl)amine Formula: C24H26ClFN3+ MolecularWeight: 410.934743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C24H25ClFN3/c25-23-7-4-8-24(26)22(23)17-27-20-9-11-21(12-10-20)29-15-13-28(14-16-29)18-19-5-2-1-3-6-19/h1-12,27H,13-18H2/p+1