2-(4-methylphenoxy)-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methylphenoxy)-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methylphenoxy)-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methylphenoxy)-1-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methylphenoxy)-1-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-methylphenoxy)-1-[4-(3,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C23H31N2O5+ MolecularWeight: 415.50264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5/c1-17-5-7-19(8-6-17)30-16-22(26)25-11-9-24(10-12-25)15-18-13-20(27-2)23(29-4)21(14-18)28-3/h5-8,13-14H,9-12,15-16H2,1-4H3/p+1