2-(2-chloranyl-5-methyl-phenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-chloro-5-methylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2-chloro-5-methylphenoxy)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-1-(4-p-anisylpiperazin-4-ium-1-yl)ethanone Formula: C21H26ClN2O3+ MolecularWeight: 389.89574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25ClN2O3/c1-16-3-8-19(22)20(13-16)27-15-21(25)24-11-9-23(10-12-24)14-17-4-6-18(26-2)7-5-17/h3-8,13H,9-12,14-15H2,1-2H3/p+1