[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(1,2-oxazol-3-ylmethyl)azanium

Systemtic Name: [2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(1,2-oxazol-3-ylmethyl)azanium Openeye Name: [2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl-(isoxazol-3-ylmethyl)ammonium CAS Name: [2-(3-chlorophenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl-(3-isoxazolylmethyl)ammonium IUPAC Name: [2-(3-chlorophenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(3-chlorophenyl)pyrazol-3-yl]methyl-(isoxazol-3-ylmethyl)ammonium Formula: C17H18ClN4O3+ MolecularWeight: 361.80282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C[NH2+]CC3=NOC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)Cl)C[NH2+]CC3=NOC=C3

InChI

InChI=1S/C17H17ClN4O3/c1-2-24-17(23)15-10-20-22(14-5-3-4-12(18)8-14)16(15)11-19-9-13-6-7-25-21-13/h3-8,10,19H,2,9,11H2,1H3/p+1