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

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(2-pyridylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]-2-piperazin-1-iumyl]-N-(2-pyridinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-1-ium-2-yl]-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenoxybenzyl)piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=N1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c1-29(19-21-9-5-6-13-27-21)25(31)17-24-26(32)28-14-15-30(24)18-20-8-7-12-23(16-20)33-22-10-3-2-4-11-22/h2-13,16,24H,14-15,17-19H2,1H3,(H,28,32)/p+1/t24-/m1/s1