1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone

Systemtic Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Openeye Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone CAS Name: 1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-2-(2,4,6-trimethylphenoxy)ethanone IUPAC Name: 1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Traditional Name: 1-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16-12-17(2)21(18(3)13-16)26-15-20(25)24-10-8-23(9-11-24)14-19-4-6-22-7-5-19/h4-7,12-13H,8-11,14-15H2,1-3H3/p+1