(4-methoxyphenyl)methyl-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl]-[(4-methoxyphenyl)methyl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-[(2R)-1-thiophen-2-ylpropan-2-yl]azanium Traditional Name: [2-(allylcarbamoylamino)-2-keto-ethyl]-[(1R)-1-methyl-2-(2-thienyl)ethyl]-p-anisyl-ammonium Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)[NH+](CC2=CC=C(C=C2)OC)CC(=O)NC(=O)NCC=C

Isomeric SMILES

C[C@H](CC1=CC=CS1)[NH+](CC2=CC=C(C=C2)OC)CC(=O)NC(=O)NCC=C

InChI

InChI=1S/C21H27N3O3S/c1-4-11-22-21(26)23-20(25)15-24(16(2)13-19-6-5-12-28-19)14-17-7-9-18(27-3)10-8-17/h4-10,12,16H,1,11,13-15H2,2-3H3,(H2,22,23,25,26)/p+1/t16-/m1/s1