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

Systemtic Name: 2-naphthalen-2-yloxy-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-(2-naphthyloxy)ethanone CAS Name: 2-(2-naphthalenyloxy)-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-naphthalen-2-yloxyethanone Traditional Name: 1-[4-(1-benzylpiperidin-1-ium-4-yl)piperazin-4-ium-1-yl]-2-(2-naphthoxy)ethanone Formula: C28H35N3O2+2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCN(CC2)C(=O)COC3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5

InChI

InChI=1S/C28H33N3O2/c32-28(22-33-27-11-10-24-8-4-5-9-25(24)20-27)31-18-16-30(17-19-31)26-12-14-29(15-13-26)21-23-6-2-1-3-7-23/h1-11,20,26H,12-19,21-22H2/p+2