5-cyclopropyl-2-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide

Systemtic Name: 5-cyclopropyl-2-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Openeye Name: 5-cyclopropyl-2-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide CAS Name: 5-cyclopropyl-2-phenyl-N-(1-propyl-4-piperidin-1-iumyl)-3-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-2-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-2-phenyl-N-(1-propylpiperidin-1-ium-4-yl)pyrazole-3-carboxamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)C2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H28N4O/c1-2-12-24-13-10-17(11-14-24)22-21(26)20-15-19(16-8-9-16)23-25(20)18-6-4-3-5-7-18/h3-7,15-17H,2,8-14H2,1H3,(H,22,26)/p+1