1-methyl-4-(pyren-1-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-methyl-4-(pyren-1-ylmethyl)piperazine-1,4-diium Openeye Name: 1-methyl-4-(pyren-1-ylmethyl)piperazine-1,4-diium CAS Name: 1-methyl-4-(1-pyrenylmethyl)piperazine-1,4-diium IUPAC Name: 1-methyl-4-(pyren-1-ylmethyl)piperazine-1,4-diium Traditional Name: 1-methyl-4-(pyren-1-ylmethyl)piperazine-1,4-diium Formula: C22H24N2+2 MolecularWeight: 316.43936

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C22H22N2/c1-23-11-13-24(14-12-23)15-19-8-7-18-6-5-16-3-2-4-17-9-10-20(19)22(18)21(16)17/h2-10H,11-15H2,1H3/p+2