(5-bromanylthiophen-2-yl)methyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C14H19BrN3OS+ MolecularWeight: 357.28916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

C[C@@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C14H18BrN3OS/c1-14(9-16,10-3-4-10)17-13(19)8-18(2)7-11-5-6-12(15)20-11/h5-6,10H,3-4,7-8H2,1-2H3,(H,17,19)/p+1/t14-/m1/s1