1-methyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazin-1-ium Openeye Name: 1-[3-(4-benzylphenoxy)propyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[3-[4-(phenylmethyl)phenoxy]propyl]piperazin-1-ium IUPAC Name: 1-[3-(4-benzylphenoxy)propyl]-4-methylpiperazin-4-ium Traditional Name: 1-[3-(4-benzylphenoxy)propyl]-4-methyl-piperazin-4-ium Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)CCCOC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-22-13-15-23(16-14-22)12-5-17-24-21-10-8-20(9-11-21)18-19-6-3-2-4-7-19/h2-4,6-11H,5,12-18H2,1H3/p+1