diethyl-[(1S)-1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[(1S)-1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)carbonylamino]ethyl]azanium Openeye Name: diethyl-[(1S)-1-(4-isopropylphenyl)-2-[[5-(2-thienyl)isoxazole-3-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[oxo-(5-thiophen-2-yl-3-isoxazolyl)methyl]amino]-1-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: diethyl-[(1S)-1-(4-propan-2-ylphenyl)-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[(1S)-1-p-cumenyl-2-[[5-(2-thienyl)isoxazole-3-carbonyl]amino]ethyl]ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=NOC(=C1)C2=CC=CS2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=NOC(=C1)C2=CC=CS2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H29N3O2S/c1-5-26(6-2)20(18-11-9-17(10-12-18)16(3)4)15-24-23(27)19-14-21(28-25-19)22-8-7-13-29-22/h7-14,16,20H,5-6,15H2,1-4H3,(H,24,27)/p+1/t20-/m1/s1