2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C25H30N3O+ MolecularWeight: 388.5252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O/c29-25(26-14-13-21-7-2-1-3-8-21)20-28-17-15-27(16-18-28)19-23-11-6-10-22-9-4-5-12-24(22)23/h1-12H,13-20H2,(H,26,29)/p+1