(5-chloranylthiophen-2-yl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]ammonium Formula: C16H23ClN3OS+ MolecularWeight: 340.89132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C[NH+](CC=C)CC1=CC=C(S1)Cl

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)C[NH+](CC=C)CC1=CC=C(S1)Cl

InChI

InChI=1S/C16H22ClN3OS/c1-5-8-20(9-13-6-7-14(17)22-13)10-15(21)19-16(4,11-18)12(2)3/h5-7,12H,1,8-10H2,2-4H3,(H,19,21)/p+1/t16-/m0/s1