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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)OC

InChI

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