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

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[(2R)-1-oxidanylidene-1-[(2-phenylphenyl)amino]propan-2-yl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[(1R)-1-methyl-2-oxo-2-(2-phenylanilino)ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[(1R)-2-keto-1-methyl-2-(2-phenylanilino)ethyl]-methyl-ammonium Formula: C21H22ClN2OS+ MolecularWeight: 385.93018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC=C(S3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C2=CC=CC=C2)[NH+](C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C21H21ClN2OS/c1-15(24(2)14-17-12-13-20(22)26-17)21(25)23-19-11-7-6-10-18(19)16-8-4-3-5-9-16/h3-13,15H,14H2,1-2H3,(H,23,25)/p+1/t15-/m1/s1