N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O3+ MolecularWeight: 404.91038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C21H26ClN3O3/c1-15-6-4-5-7-18(15)25-10-8-24(9-11-25)14-21(26)23-17-13-19(27-2)16(22)12-20(17)28-3/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1