N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-phenyl-pyrazole-4-carboxamide Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C25H30N4O2/c1-25(2,28-13-15-31-16-14-28)19-26-24(30)22-18-29(17-20-9-5-3-6-10-20)27-23(22)21-11-7-4-8-12-21/h3-12,18H,13-17,19H2,1-2H3,(H,26,30)/p+1