1-(anthracen-9-ylmethyl)-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-(anthracen-9-ylmethyl)-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-(9-anthrylmethyl)-4-benzyl-piperazine-1,4-diium CAS Name: 1-(9-anthracenylmethyl)-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-(anthracen-9-ylmethyl)-4-benzylpiperazine-1,4-diium Traditional Name: 1-(9-anthrylmethyl)-4-benzyl-piperazine-1,4-diium Formula: C26H28N2+2 MolecularWeight: 368.51392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H26N2/c1-2-8-21(9-3-1)19-27-14-16-28(17-15-27)20-26-24-12-6-4-10-22(24)18-23-11-5-7-13-25(23)26/h1-13,18H,14-17,19-20H2/p+2