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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2,4,6-trimethylphenoxy)ethanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(2,4,6-trimethylphenoxy)acetamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)acetamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-(2,4,6-trimethylphenoxy)acetamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(2,4,6-trimethylphenoxy)acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2/c1-15-11-16(2)21(17(3)12-15)27-14-20(26)23-18-5-6-19(22-13-18)25-9-7-24(4)8-10-25/h5-6,11-13H,7-10,14H2,1-4H3,(H,23,26)/p+1