N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(1H-pyrazol-5-yl)phenyl]-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=CC(=C2)C3=CC=NN3)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC=NN3)CCCN4C=CC=N4

InChI

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