3-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C14H19BrN3O2S+ MolecularWeight: 373.28856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CCC#N)Br

InChI

InChI=1S/C14H18BrN3O2S/c1-12-11-13(3-4-14(12)15)21(19,20)18-9-7-17(8-10-18)6-2-5-16/h3-4,11H,2,6-10H2,1H3/p+1