1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-(1-piperidin-1-iumyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium-4-carboxamide Formula: C22H32ClN5O+2 MolecularWeight: 417.97538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C22H30ClN5O/c1-26-15-18(20(25-26)17-6-5-7-19(23)14-17)16-27-12-8-22(9-13-27,21(24)29)28-10-3-2-4-11-28/h5-7,14-15H,2-4,8-13,16H2,1H3,(H2,24,29)/p+2