1-(pyren-1-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-(pyren-1-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-(pyren-1-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-(1-pyrenylmethyl)-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-(pyren-1-ylmethyl)-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(pyren-1-ylmethyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C26H25N3+2 MolecularWeight: 379.4968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC=[NH+]6

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=CC=CC=[NH+]6

InChI

InChI=1S/C26H23N3/c1-2-13-27-24(6-1)29-16-14-28(15-17-29)18-22-10-9-21-8-7-19-4-3-5-20-11-12-23(22)26(21)25(19)20/h1-13H,14-18H2/p+2