1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazole-4-carboxamide

Systemtic Name: 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazole-4-carboxamide Openeye Name: 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazole-4-carboxamide CAS Name: 1-[(2-chlorophenyl)methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenyl-4-pyrazolecarboxamide IUPAC Name: 1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazole-4-carboxamide Traditional Name: 1-(2-chlorobenzyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-pyrazole-4-carboxamide Formula: C23H26ClN4O2+ MolecularWeight: 425.93114

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN4O2/c24-21-9-5-4-8-19(21)16-28-17-20(22(26-28)18-6-2-1-3-7-18)23(29)25-10-11-27-12-14-30-15-13-27/h1-9,17H,10-16H2,(H,25,29)/p+1