1-phenyl-4-(pyren-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazin-4-ium Openeye Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazin-4-ium CAS Name: 1-phenyl-4-(1-pyrenylmethyl)piperazin-4-ium IUPAC Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazin-4-ium Traditional Name: 1-phenyl-4-(pyren-1-ylmethyl)piperazin-4-ium Formula: C27H25N2+ MolecularWeight: 377.5008

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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=C6

Isomeric SMILES

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

InChI

InChI=1S/C27H24N2/c1-2-7-24(8-3-1)29-17-15-28(16-18-29)19-23-12-11-22-10-9-20-5-4-6-21-13-14-25(23)27(22)26(20)21/h1-14H,15-19H2/p+1