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

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)-2-methyl-propan-1-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)-2-methylpropan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-chlorophenoxy)-2-methyl-propan-1-one Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2/c1-21(2,26-19-10-8-18(22)9-11-19)20(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11H,12-16H2,1-2H3/p+1