1-methyl-4-[4-[4-(phenylmethyl)phenoxy]butyl]piperazin-4-ium

Systemtic Name: 1-methyl-4-[4-[4-(phenylmethyl)phenoxy]butyl]piperazin-4-ium Openeye Name: 1-[4-(4-benzylphenoxy)butyl]-4-methyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-[4-(phenylmethyl)phenoxy]butyl]piperazin-4-ium IUPAC Name: 1-[4-(4-benzylphenoxy)butyl]-4-methylpiperazin-1-ium Traditional Name: 1-[4-(4-benzylphenoxy)butyl]-4-methyl-piperazin-1-ium Formula: C22H31N2O+ MolecularWeight: 339.49434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CN1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O/c1-23-14-16-24(17-15-23)13-5-6-18-25-22-11-9-21(10-12-22)19-20-7-3-2-4-8-20/h2-4,7-12H,5-6,13-19H2,1H3/p+1