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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N4OS/c1-17(11-18,12-7-8-12)20-15(22)9-21(2)10-16-19-13-5-3-4-6-14(13)23-16/h3-6,12H,7-10H2,1-2H3,(H,20,22)/p+1/t17-/m0/s1