2-[4-(anthracen-9-ylmethyl)piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-(anthracen-9-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-(9-anthrylmethyl)piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-(9-anthracenylmethyl)-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-(anthracen-9-ylmethyl)piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(9-anthrylmethyl)piperazin-4-ium-1-yl]pyrimidine Formula: C23H23N4+ MolecularWeight: 355.45552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=CC3=CC4=CC=CC=C42)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=CC3=CC4=CC=CC=C42)C5=NC=CC=N5

InChI

InChI=1S/C23H22N4/c1-3-8-20-18(6-1)16-19-7-2-4-9-21(19)22(20)17-26-12-14-27(15-13-26)23-24-10-5-11-25-23/h1-11,16H,12-15,17H2/p+1