diethyl-[[4-[[(5-thiophen-2-yl-1,2-oxazol-3-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(5-thiophen-2-yl-1,2-oxazol-3-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[[5-(2-thienyl)isoxazole-3-carbonyl]amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-(5-thiophen-2-yl-3-isoxazolyl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[[5-(2-thienyl)isoxazole-3-carbonyl]amino]methyl]benzyl]ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C20H23N3O2S/c1-3-23(4-2)14-16-9-7-15(8-10-16)13-21-20(24)17-12-18(25-22-17)19-6-5-11-26-19/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)/p+1