2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H32N4O+2 MolecularWeight: 380.52638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H30N4O/c28-23(27-16-14-26(15-17-27)22-8-4-5-11-24-22)19-25-12-9-21(10-13-25)18-20-6-2-1-3-7-20/h1-8,11,21H,9-10,12-19H2/p+2