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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=CC=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

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