4-bromanyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H21BrN2O3S/c1-14-2-5-17(6-3-14)25(23,24)21-10-8-20(9-11-21)13-15-12-16(19)4-7-18(15)22/h2-7,12,22H,8-11,13H2,1H3/p+1