[(S)-(4-methylphenyl)-phenyl-methyl]-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]azanium

Systemtic Name: [(S)-(4-methylphenyl)-phenyl-methyl]-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]azanium Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium CAS Name: [(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]ammonium IUPAC Name: [(S)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]azanium Traditional Name: [2-keto-2-[2-(2-thienyl)ethylamino]ethyl]-[(S)-phenyl(p-tolyl)methyl]ammonium Formula: C22H25N2OS+ MolecularWeight: 365.5117

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)[NH2+]CC(=O)NCCC3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)[NH2+]CC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C22H24N2OS/c1-17-9-11-19(12-10-17)22(18-6-3-2-4-7-18)24-16-21(25)23-14-13-20-8-5-15-26-20/h2-12,15,22,24H,13-14,16H2,1H3,(H,23,25)/p+1/t22-/m0/s1