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

Systemtic Name: 4-bromanyl-2-[(4-propylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-bromo-2-[(4-propylsulfonylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 4-bromo-2-[(4-propylsulfonyl-1-piperazin-1-iumyl)methyl]phenol IUPAC Name: 4-bromo-2-[(4-propylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-bromo-2-[(4-propylsulfonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C14H22BrN2O3S+ MolecularWeight: 378.30508

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H21BrN2O3S/c1-2-9-21(19,20)17-7-5-16(6-8-17)11-12-10-13(15)3-4-14(12)18/h3-4,10,18H,2,5-9,11H2,1H3/p+1