[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H23N3OS/c1-17(12-18,14-6-7-14)19-16(21)11-20(2)10-13-4-8-15(22-3)9-5-13/h4-5,8-9,14H,6-7,10-11H2,1-3H3,(H,19,21)/p+1/t17-/m0/s1