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

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-(4-pyridin-1-iumylmethyl)piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(pyridin-1-ium-4-ylmethyl)piperazine-1,4-diium Formula: C22H34N4+4 MolecularWeight: 354.53216

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC=[NH+]C=C3)CC4=CC=CC=C4

InChI

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