2-[4-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(5-chloranyl-6-methyl-2-pyridin-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[5-chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-chloro-6-methyl-2-(2-pyridyl)pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C16H21ClN5O+ MolecularWeight: 334.82384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CC[NH+](CC3)CCO)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=N2)N3CC[NH+](CC3)CCO)Cl

InChI

InChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3/p+1