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

Systemtic Name: 2-(4-chloranylphenoxy)-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-chlorophenoxy)ethanone CAS Name: 2-(4-chlorophenoxy)-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-chlorophenoxy)ethanone Traditional Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-(4-chlorophenoxy)ethanone Formula: C24H32ClN3O2+2 MolecularWeight: 429.98278

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C24H30ClN3O2/c25-21-6-8-23(9-7-21)30-19-24(29)28-16-14-27(15-17-28)22-10-12-26(13-11-22)18-20-4-2-1-3-5-20/h1-9,22H,10-19H2/p+2