1-[[3-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[3-(3-phenylpropoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[3-(3-phenylpropoxy)benzyl]piperazin-4-ium Formula: C20H27N2O+ MolecularWeight: 311.44118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O/c1-2-6-18(7-3-1)9-5-15-23-20-10-4-8-19(16-20)17-22-13-11-21-12-14-22/h1-4,6-8,10,16,21H,5,9,11-15,17H2/p+1