1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(2-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(2-pyridylmethyl)piperazine-1,4-diium Formula: C22H33N4+3 MolecularWeight: 353.52422

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C22H30N4/c1-2-6-20(7-3-1)18-24-12-9-22(10-13-24)26-16-14-25(15-17-26)19-21-8-4-5-11-23-21/h1-8,11,22H,9-10,12-19H2/p+3