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

Systemtic Name: 3-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]propionate Formula: C14H19BrN2O4S MolecularWeight: 391.28066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O4S/c1-11-10-12(2-3-13(11)15)22(20,21)17-8-6-16(7-9-17)5-4-14(18)19/h2-3,10H,4-9H2,1H3,(H,18,19)