2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-(1-pyrenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(pyren-1-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Formula: C25H23N4+ MolecularWeight: 379.47692

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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=NC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=NC=CC=N6

InChI

InChI=1S/C25H22N4/c1-3-18-5-6-20-7-8-21(22-10-9-19(4-1)23(18)24(20)22)17-28-13-15-29(16-14-28)25-26-11-2-12-27-25/h1-12H,13-17H2/p+1