2-(4-methylphenoxy)-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-methylphenoxy)-1-[4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 2-(4-methylphenoxy)-1-[4-[1-(phenylmethyl)-4-piperidin-1-iumyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Formula: C25H35N3O2+2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-21-7-9-24(10-8-21)30-20-25(29)28-17-15-27(16-18-28)23-11-13-26(14-12-23)19-22-5-3-2-4-6-22/h2-10,23H,11-20H2,1H3/p+2