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

Systemtic Name: 2-acetamidoethyl-[[2-(2-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[2-(2-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[2-(2-chlorophenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[2-(2-chlorophenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[4-carbethoxy-2-(2-chlorophenyl)pyrazol-3-yl]methyl]ammonium Formula: C17H22ClN4O3+ MolecularWeight: 365.83458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH2+]CCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2Cl)C[NH2+]CCNC(=O)C

InChI

InChI=1S/C17H21ClN4O3/c1-3-25-17(24)13-10-21-22(15-7-5-4-6-14(15)18)16(13)11-19-8-9-20-12(2)23/h4-7,10,19H,3,8-9,11H2,1-2H3,(H,20,23)/p+1