2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]ethanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]ethanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]acetamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(4-methyl-1-piperazin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]acetamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[[1-(4-methylpiperazin-1-ium-1-yl)cyclohexyl]methyl]acetamide Formula: C22H35ClN3O2+ MolecularWeight: 408.9852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC2(CCCCC2)[NH+]3CCN(CC3)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NCC2(CCCCC2)[NH+]3CCN(CC3)C

InChI

InChI=1S/C22H34ClN3O2/c1-17-13-19(14-18(2)21(17)23)28-15-20(27)24-16-22(7-5-4-6-8-22)26-11-9-25(3)10-12-26/h13-14H,4-12,15-16H2,1-3H3,(H,24,27)/p+1