4-bromanyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-bromanyl-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C21H22BrN2O3S+ MolecularWeight: 462.37998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3S/c22-19-6-8-21(25)18(13-19)15-23-9-11-24(12-10-23)28(26,27)20-7-5-16-3-1-2-4-17(16)14-20/h1-8,13-14,25H,9-12,15H2/p+1