N-[2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: N-[2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C21H25N6O2+ MolecularWeight: 393.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=CC=C(C=C3)OC4=NC=CC=N4

InChI

InChI=1S/C21H24N6O2/c1-16(28)25-20-7-12-24-27(20)18-8-13-26(14-9-18)15-17-3-5-19(6-4-17)29-21-22-10-2-11-23-21/h2-7,10-12,18H,8-9,13-15H2,1H3,(H,25,28)/p+1