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

Systemtic Name: 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(3-phenoxybenzyl)piperazin-4-ium-1-yl]ethanone Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-21-7-5-11-24(17-21)30-20-26(29)28-15-13-27(14-16-28)19-22-8-6-12-25(18-22)31-23-9-3-2-4-10-23/h2-12,17-18H,13-16,19-20H2,1H3/p+1