3-(3-methylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3-methylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one CAS Name: 3-(3-methylphenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-3-(3-methylphenoxy)propan-1-one Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-18-6-5-9-20(16-18)25-15-10-21(24)23-13-11-22(12-14-23)17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3/p+1