N-methyl-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(1H-pyrazol-5-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(1H-pyrazol-5-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-(1H-pyrazol-5-ylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(1H-pyrazol-5-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-methyl-N-(1H-pyrazol-5-ylmethyl)acetamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=NN1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=NN1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-28(17-19-10-11-26-27-19)23(30)15-22-24(31)25-12-13-29(22)16-18-6-5-9-21(14-18)32-20-7-3-2-4-8-20/h2-11,14,22H,12-13,15-17H2,1H3,(H,25,31)(H,26,27)/p+1/t22-/m1/s1