2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chloro-3,5-dimethyl-phenoxy)ethanone CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chloro-3,5-dimethylphenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chloro-3,5-dimethyl-phenoxy)ethanone Formula: C27H30ClN2O2+ MolecularWeight: 449.9923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29ClN2O2/c1-20-17-24(18-21(2)26(20)28)32-19-25(31)29-13-15-30(16-14-29)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,17-18,27H,13-16,19H2,1-2H3/p+1