1-[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-yl]-2-(4-phenylphenoxy)ethanone

Systemtic Name: 1-[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-yl]-2-(4-phenylphenoxy)ethanone Openeye Name: 1-[4-(4-ethylpiperazine-1,4-diium-1-yl)-1-piperidyl]-2-(4-phenylphenoxy)ethanone CAS Name: 1-[4-(4-ethyl-1-piperazine-1,4-diiumyl)-1-piperidinyl]-2-(4-phenylphenoxy)ethanone IUPAC Name: 1-[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidin-1-yl]-2-(4-phenylphenoxy)ethanone Traditional Name: 1-[4-(4-ethylpiperazine-1,4-diium-1-yl)piperidino]-2-(4-phenylphenoxy)ethanone Formula: C25H35N3O2+2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)C2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-2-26-16-18-27(19-17-26)23-12-14-28(15-13-23)25(29)20-30-24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-11,23H,2,12-20H2,1H3/p+2