1-[(4-bromophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-naphthalen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[(4-bromophenyl)methyl]-4-(2-naphthylsulfonyl)piperazin-1-ium CAS Name: 1-[(4-bromophenyl)methyl]-4-(2-naphthalenylsulfonyl)piperazin-1-ium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-(4-bromobenzyl)-4-(2-naphthylsulfonyl)piperazin-1-ium Formula: C21H22BrN2O2S+ MolecularWeight: 446.38058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21BrN2O2S/c22-20-8-5-17(6-9-20)16-23-11-13-24(14-12-23)27(25,26)21-10-7-18-3-1-2-4-19(18)15-21/h1-10,15H,11-14,16H2/p+1