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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-propan-2-ylphenoxy)ethanamide Openeye Name: 2-(2-isopropylphenoxy)-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-propan-2-ylphenoxy)acetamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2-propan-2-ylphenoxy)acetamide Traditional Name: 2-(2-isopropylphenoxy)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=CC=C1OCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H28N4O2/c1-16(2)18-6-4-5-7-19(18)27-15-21(26)23-17-8-9-20(22-14-17)25-12-10-24(3)11-13-25/h4-9,14,16H,10-13,15H2,1-3H3,(H,23,26)/p+1