2-[(2S)-1,4-dimethylpiperazin-4-ium-2-yl]-N-[[2-(2-methylphenoxy)pyridin-3-yl]methyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C=CC=N2)CNC(=O)CC3C[NH+](CCN3C)C

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C=CC=N2)CNC(=O)C[C@H]3C[NH+](CCN3C)C

InChI

InChI=1S/C21H28N4O2/c1-16-7-4-5-9-19(16)27-21-17(8-6-10-22-21)14-23-20(26)13-18-15-24(2)11-12-25(18)3/h4-10,18H,11-15H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1