2-(4-chloranylphenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-methyl-propan-1-one

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-methyl-propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)-2-methyl-propan-1-one CAS Name: 2-(4-chlorophenoxy)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-methyl-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)-2-methylpropan-1-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)-2-methyl-propan-1-one Formula: C27H30ClN2O2+ MolecularWeight: 449.9923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl

InChI

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