1,3-benzothiazol-2-ylmethyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N4OS/c1-12(2)17(3,11-18)20-15(22)9-21(4)10-16-19-13-7-5-6-8-14(13)23-16/h5-8,12H,9-10H2,1-4H3,(H,20,22)/p+1/t17-/m0/s1