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

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-4-ium-1-yl]-(4-hexoxyphenyl)methanone chloride Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(4-hexoxyphenyl)methanone chloride CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazin-4-iumyl]-(4-hexoxyphenyl)methanone chloride IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-4-ium-1-yl]-(4-hexoxyphenyl)methanone chloride Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazin-4-ium-1-yl]-(4-hexoxyphenyl)methanone chloride Formula: C24H32Cl2N2O2 MolecularWeight: 451.42908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3=C(C=CC(=C3)Cl)C.[Cl-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)C3=C(C=CC(=C3)Cl)C.[Cl-]

InChI

InChI=1S/C24H31ClN2O2.ClH/c1-3-4-5-6-17-29-22-11-8-20(9-12-22)24(28)27-15-13-26(14-16-27)23-18-21(25)10-7-19(23)2;/h7-12,18H,3-6,13-17H2,1-2H3;1H