(5-chloranylthiophen-2-yl)methyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[2-[[(1R)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl]ammonium Formula: C16H21ClN3OS+ MolecularWeight: 338.87544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)C[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C16H20ClN3OS/c1-3-8-20(9-13-6-7-14(17)22-13)10-15(21)19-16(2,11-18)12-4-5-12/h3,6-7,12H,1,4-5,8-10H2,2H3,(H,19,21)/p+1/t16-/m0/s1