1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(1-naphthalenylmethyl)piperazin-4-ium IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-4-(1-naphthylmethyl)piperazin-4-ium Formula: C21H21ClFN2O2S+ MolecularWeight: 419.920043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H20ClFN2O2S/c22-20-14-18(8-9-21(20)23)28(26,27)25-12-10-24(11-13-25)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2/p+1