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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H29ClN5O+ MolecularWeight: 402.94086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC(=NC(=C3)C)C(C)C)Cl

InChI

InChI=1S/C21H28ClN5O/c1-14(2)21-23-16(4)11-19(25-21)27-9-7-26(8-10-27)13-20(28)24-17-6-5-15(3)18(22)12-17/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,24,28)/p+1