methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]ammonium CAS Name: methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]azanium Traditional Name: benzyl-[2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl]-methyl-ammonium Formula: C16H21N2OS+ MolecularWeight: 289.41574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C1=CC=CS1)NC(=O)C[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C16H20N2OS/c1-13(15-9-6-10-20-15)17-16(19)12-18(2)11-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m0/s1