1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-(4-m-anisylpiperazin-4-ium-1-yl)-2-(3-methylphenoxy)ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-17-5-3-8-20(13-17)26-16-21(24)23-11-9-22(10-12-23)15-18-6-4-7-19(14-18)25-2/h3-8,13-14H,9-12,15-16H2,1-2H3/p+1