3-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide

Systemtic Name: 3-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Openeye Name: 3-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide CAS Name: 3-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)-4-piperidin-1-iumyl]-3-pyrazolyl]propanamide IUPAC Name: 3-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propanamide Traditional Name: 3-phenyl-N-[2-[1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-4-yl]pyrazol-3-yl]propionamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=NN4

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCC3=CC=CC=C3)CC4=CC=NN4

InChI

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