2-acetamidoethyl-[[2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[2-(2,3-dimethylphenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[2-(2,3-dimethylphenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[4-carbethoxy-2-(2,3-dimethylphenyl)pyrazol-3-yl]methyl]ammonium Formula: C19H27N4O3+ MolecularWeight: 359.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2C)C)C[NH2+]CCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC(=C2C)C)C[NH2+]CCNC(=O)C

InChI

InChI=1S/C19H26N4O3/c1-5-26-19(25)16-11-22-23(17-8-6-7-13(2)14(17)3)18(16)12-20-9-10-21-15(4)24/h6-8,11,20H,5,9-10,12H2,1-4H3,(H,21,24)/p+1