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

Systemtic Name: 2-acetamidoethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonyl-pyrazol-3-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonyl-3-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[2-(3-chlorophenyl)-4-ethoxycarbonylpyrazol-3-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[4-carbethoxy-2-(3-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=C2)Cl)C[NH2+]CCNC(=O)C

Isomeric SMILES

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

InChI

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