[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: [2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]-methyl-[(3-methyl-2-thienyl)methyl]ammonium Formula: C15H24N3OS+ MolecularWeight: 294.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+](C)CC(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=C(SC=C1)C[NH+](C)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C15H23N3OS/c1-11(2)15(4,10-16)17-14(19)9-18(5)8-13-12(3)6-7-20-13/h6-7,11H,8-9H2,1-5H3,(H,17,19)/p+1/t15-/m1/s1