[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C14H20N3OS+ MolecularWeight: 278.3931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=CS2

Isomeric SMILES

C[C@@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=CS2

InChI

InChI=1S/C14H19N3OS/c1-14(10-15,11-5-6-11)16-13(18)9-17(2)8-12-4-3-7-19-12/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,16,18)/p+1/t14-/m1/s1