N-(4-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(4-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(4-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1-pyrazolyl)phenyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(4-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(4-pyrazol-1-ylphenyl)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)N3C=CC=N3)CCCN4C=CC=N4

InChI

InChI=1S/C21H26N6O/c28-21(24-19-4-6-20(7-5-19)27-15-2-11-23-27)18-8-16-25(17-9-18)12-3-14-26-13-1-10-22-26/h1-2,4-7,10-11,13,15,18H,3,8-9,12,14,16-17H2,(H,24,28)/p+1