N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-[2-(phenylmethyl)phenoxy]ethanamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-[2-(phenylmethyl)phenoxy]ethanamide Openeye Name: 2-(2-benzylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-[2-(phenylmethyl)phenoxy]acetamide IUPAC Name: 2-(2-benzylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-(2-benzylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=CC=C3CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)COC3=CC=CC=C3CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-28-13-15-29(16-14-28)24-12-11-22(18-26-24)27-25(30)19-31-23-10-6-5-9-21(23)17-20-7-3-2-4-8-20/h2-12,18H,13-17,19H2,1H3,(H,27,30)/p+1