(2R)-2-[2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide

Systemtic Name: (2R)-2-[2-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]-N-propyl-propanamide Openeye Name: (2R)-2-[[2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propanamide CAS Name: (2R)-2-[[2-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-1-oxoethyl]amino]-N-propylpropanamide IUPAC Name: (2R)-2-[[2-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propylpropanamide Traditional Name: (2R)-2-[[2-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]-N-propyl-propionamide Formula: C19H30BrN4O4S+ MolecularWeight: 490.4349

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCCNC(=O)[C@@H](C)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C19H29BrN4O4S/c1-4-7-21-19(26)15(3)22-18(25)13-23-8-10-24(11-9-23)29(27,28)16-5-6-17(20)14(2)12-16/h5-6,12,15H,4,7-11,13H2,1-3H3,(H,21,26)(H,22,25)/p+1/t15-/m1/s1