1-[(E)-3-phenylprop-2-enyl]-4-(pyren-1-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(E)-3-phenylprop-2-enyl]-4-(pyren-1-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(E)-cinnamyl]-4-(pyren-1-ylmethyl)piperazine-1,4-diium CAS Name: 1-[(E)-3-phenylprop-2-enyl]-4-(1-pyrenylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(E)-3-phenylprop-2-enyl]-4-(pyren-1-ylmethyl)piperazine-1,4-diium Traditional Name: 1-[(E)-cinnamyl]-4-(pyren-1-ylmethyl)piperazine-1,4-diium Formula: C30H30N2+2 MolecularWeight: 418.5726

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C30H28N2/c1-2-6-23(7-3-1)8-5-17-31-18-20-32(21-19-31)22-27-14-13-26-12-11-24-9-4-10-25-15-16-28(27)30(26)29(24)25/h1-16H,17-22H2/p+2/b8-5+