2-(4-chloranylphenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide Openeye Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]propanamide IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]propanamide Traditional Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]propionamide Formula: C21H29ClN5O2+ MolecularWeight: 418.94026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCC[NH+]1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NCCC[NH+]1CCN(CC1)C2=NC=CC=N2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H28ClN5O2/c1-21(2,29-18-7-5-17(22)6-8-18)19(28)23-11-4-12-26-13-15-27(16-14-26)20-24-9-3-10-25-20/h3,5-10H,4,11-16H2,1-2H3,(H,23,28)/p+1