N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-4-pyrazol-1-yl-benzamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H24N4O2/c27-22(18-6-8-21(9-7-18)26-11-3-10-24-26)23-16-19-4-1-2-5-20(19)17-25-12-14-28-15-13-25/h1-11H,12-17H2,(H,23,27)/p+1