(5-chloranylthiophen-2-yl)methyl-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (5-chloro-2-thienyl)methyl-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (5-chloro-2-thienyl)methyl-[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C16H17ClN3OS+ MolecularWeight: 334.84368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=CC=C(S2)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+](C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C16H16ClN3OS/c1-11(20(2)10-14-7-8-15(17)22-14)16(21)19-13-5-3-12(9-18)4-6-13/h3-8,11H,10H2,1-2H3,(H,19,21)/p+1/t11-/m1/s1