N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-pyrazole-4-carboxamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c29-24(25-12-7-13-27-14-16-30-17-15-27)22-19-28(18-20-8-3-1-4-9-20)26-23(22)21-10-5-2-6-11-21/h1-6,8-11,19H,7,12-18H2,(H,25,29)/p+1