[4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone chloride

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone chloride Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(2-furyl)methanone chloride CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-(2-furanyl)methanone chloride IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]-(furan-2-yl)methanone chloride Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(2-furyl)methanone chloride Formula: C16H18Cl2N2O2 MolecularWeight: 341.23232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CO3.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)[NH+]2CCN(CC2)C(=O)C3=CC=CO3.[Cl-]

InChI

InChI=1S/C16H17ClN2O2.ClH/c1-12-4-5-13(17)11-14(12)18-6-8-19(9-7-18)16(20)15-3-2-10-21-15;/h2-5,10-11H,6-9H2,1H3;1H