(5-chloranylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]-methyl-ammonium Formula: C16H20ClN2OS+ MolecularWeight: 323.8608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=CC=C(S2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2OS/c1-12(13-6-4-3-5-7-13)18-16(20)11-19(2)10-14-8-9-15(17)21-14/h3-9,12H,10-11H2,1-2H3,(H,18,20)/p+1/t12-/m1/s1