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

Systemtic Name: 1-ethyl-4-(pyren-1-ylmethyl)piperazin-1-ium Openeye Name: 1-ethyl-4-(pyren-1-ylmethyl)piperazin-1-ium CAS Name: 1-ethyl-4-(1-pyrenylmethyl)piperazin-1-ium IUPAC Name: 1-ethyl-4-(pyren-1-ylmethyl)piperazin-1-ium Traditional Name: 1-ethyl-4-(pyren-1-ylmethyl)piperazin-1-ium Formula: C23H25N2+ MolecularWeight: 329.458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2/c1-2-24-12-14-25(15-13-24)16-20-9-8-19-7-6-17-4-3-5-18-10-11-21(20)23(19)22(17)18/h3-11H,2,12-16H2,1H3/p+1