2-(4-methylphenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methylphenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-methylphenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-methylphenoxy)-1-[4-(3-pyridin-1-iumylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-methylphenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-methylphenoxy)-1-[4-(pyridin-1-ium-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Formula: C19H25N3O2+2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O2/c1-16-4-6-18(7-5-16)24-15-19(23)22-11-9-21(10-12-22)14-17-3-2-8-20-13-17/h2-8,13H,9-12,14-15H2,1H3/p+2