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

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C22H27N3OS/c1-17-8-11-20(27-17)14-25(13-12-18-6-4-3-5-7-18)15-21(26)24-22(2,16-23)19-9-10-19/h3-8,11,19H,9-10,12-15H2,1-2H3,(H,24,26)/p+1/t22-/m1/s1