2-(4-methoxyphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methoxyphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methoxyphenoxy)-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methoxyphenoxy)-1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methoxyphenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-methoxyphenoxy)-1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethanone Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)OC

InChI

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