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

Systemtic Name: 2-(4-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methylphenoxy)-1-[4-[(3-phenoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-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=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

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