1-[4-(3-chloranylphenoxy)butyl]-4-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[4-(3-chloranylphenoxy)butyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[4-(3-chlorophenoxy)butyl]piperazin-4-ium CAS Name: 1-[4-(3-chlorophenoxy)butyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[4-(3-chlorophenoxy)butyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[4-(3-chlorophenoxy)butyl]piperazin-4-ium Formula: C21H28ClN2O+ MolecularWeight: 359.91282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCOC2=CC(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCCCOC2=CC(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C21H27ClN2O/c22-20-9-6-10-21(17-20)25-16-5-4-11-23-12-14-24(15-13-23)18-19-7-2-1-3-8-19/h1-3,6-10,17H,4-5,11-16,18H2/p+1