1-[[4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-[4-bromanyl-2,6-bis(chloranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(4-bromo-2,6-dichloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(4-bromo-2,6-dichlorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(4-bromo-2,6-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-(4-bromo-2,6-dichloro-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C21H20BrCl2N2O3S+ MolecularWeight: 531.2701

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)C4=C(C=C(C=C4Cl)Br)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)S(=O)(=O)C4=C(C=C(C=C4Cl)Br)Cl

InChI

InChI=1S/C21H19BrCl2N2O3S/c22-15-11-18(23)21(19(24)12-15)30(28,29)26-9-7-25(8-10-26)13-17-16-4-2-1-3-14(16)5-6-20(17)27/h1-6,11-12,27H,7-10,13H2/p+1