diethyl-[[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[2-(2-thienyl)oxazol-4-yl]methylcarbamoylamino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-[(2-thiophen-2-yl-4-oxazolyl)methylamino]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[2-(2-thienyl)oxazol-4-yl]methylcarbamoylamino]methyl]benzyl]ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)NCC2=COC(=N2)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)NCC2=COC(=N2)C3=CC=CS3

InChI

InChI=1S/C21H26N4O2S/c1-3-25(4-2)14-17-9-7-16(8-10-17)12-22-21(26)23-13-18-15-27-20(24-18)19-6-5-11-28-19/h5-11,15H,3-4,12-14H2,1-2H3,(H2,22,23,26)/p+1