(3-chloranyl-4-oxidanyl-phenyl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-4-oxidanyl-phenyl)-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methanone Openeye Name: (3-chloro-4-hydroxy-phenyl)-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methanone CAS Name: (3-chloro-4-hydroxyphenyl)-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-4-hydroxyphenyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]methanone Traditional Name: (3-chloro-4-hydroxy-phenyl)-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]methanone Formula: C19H24ClN4O2+ MolecularWeight: 375.87246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)O)Cl

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)O)Cl

InChI

InChI=1S/C19H23ClN4O2/c1-12(2)18-21-13(3)10-17(22-18)23-6-8-24(9-7-23)19(26)14-4-5-16(25)15(20)11-14/h4-5,10-12,25H,6-9H2,1-3H3/p+1