1-(diphenylmethyl)-4-(4-naphthalen-1-yloxybutyl)piperazin-1-ium

Systemtic Name: 1-(diphenylmethyl)-4-(4-naphthalen-1-yloxybutyl)piperazin-1-ium Openeye Name: 1-benzhydryl-4-[4-(1-naphthyloxy)butyl]piperazin-1-ium CAS Name: 1-(diphenylmethyl)-4-[4-(1-naphthalenyloxy)butyl]piperazin-1-ium IUPAC Name: 1-benzhydryl-4-(4-naphthalen-1-yloxybutyl)piperazin-1-ium Traditional Name: 1-benzhydryl-4-[4-(1-naphthoxy)butyl]piperazin-1-ium Formula: C31H35N2O+ MolecularWeight: 451.6224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCCOC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCCOC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C31H34N2O/c1-3-13-27(14-4-1)31(28-15-5-2-6-16-28)33-23-21-32(22-24-33)20-9-10-25-34-30-19-11-17-26-12-7-8-18-29(26)30/h1-8,11-19,31H,9-10,20-25H2/p+1