1-(4-bromanylnaphthalen-1-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanylnaphthalen-1-yl)sulfonyl-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-[(4-bromo-1-naphthyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(4-bromo-1-naphthalenyl)sulfonyl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-(4-bromonaphthalen-1-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzhydryl-4-[(4-bromo-1-naphthyl)sulfonyl]piperazin-1-ium Formula: C27H26BrN2O2S+ MolecularWeight: 522.47654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C5=CC=CC=C54)Br

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C5=CC=CC=C54)Br

InChI

InChI=1S/C27H25BrN2O2S/c28-25-15-16-26(24-14-8-7-13-23(24)25)33(31,32)30-19-17-29(18-20-30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-16,27H,17-20H2/p+1