N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-methyl-5-propan-2-yl-phenoxy)ethanamide

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-methyl-5-propan-2-yl-phenoxy)ethanamide Openeye Name: 2-(5-isopropyl-2-methyl-phenoxy)-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-methyl-5-propan-2-ylphenoxy)acetamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide Traditional Name: 2-(5-isopropyl-2-methyl-phenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)C)OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H30N4O2/c1-16(2)18-6-5-17(3)20(13-18)28-15-22(27)24-19-7-8-21(23-14-19)26-11-9-25(4)10-12-26/h5-8,13-14,16H,9-12,15H2,1-4H3,(H,24,27)/p+1