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

Systemtic Name: 3-methyl-N-[2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: 3-methyl-N-[2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide CAS Name: 3-methyl-N-[2-[1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 3-methyl-N-[2-[1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: 3-methyl-N-[2-[1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butyramide Formula: C24H31N6O2+ MolecularWeight: 435.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O2/c1-18(2)16-23(31)28-22-8-13-27-30(22)20-9-14-29(15-10-20)17-19-4-6-21(7-5-19)32-24-25-11-3-12-26-24/h3-8,11-13,18,20H,9-10,14-17H2,1-2H3,(H,28,31)/p+1