(5-chloranylthiophen-2-yl)methyl-[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-prop-2-enyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-prop-2-enylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-prop-2-enylazanium Traditional Name: allyl-[(5-chloro-2-thienyl)methyl]-[(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]ammonium Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+](CC=C)CC2=CC=C(S2)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)[NH+](CC=C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C18H18ClN3OS/c1-3-10-22(12-15-8-9-17(19)24-15)13(2)18(23)21-16-7-5-4-6-14(16)11-20/h3-9,13H,1,10,12H2,2H3,(H,21,23)/p+1/t13-/m0/s1