(5-bromanylthiophen-2-yl)methyl-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-methyl-[2-[[(1R)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[[[[(2R)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-keto-2-[[(1R)-1-methylpropyl]carbamoylamino]ethyl]-methyl-ammonium Formula: C13H21BrN3O2S+ MolecularWeight: 363.29374

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(S1)Br

Isomeric SMILES

CC[C@@H](C)NC(=O)NC(=O)C[NH+](C)CC1=CC=C(S1)Br

InChI

InChI=1S/C13H20BrN3O2S/c1-4-9(2)15-13(19)16-12(18)8-17(3)7-10-5-6-11(14)20-10/h5-6,9H,4,7-8H2,1-3H3,(H2,15,16,18,19)/p+1/t9-/m1/s1