1-[4-(4-chloranylphenoxy)butyl]-4-ethyl-piperazine-1,4-diium

Systemtic Name: 1-[4-(4-chloranylphenoxy)butyl]-4-ethyl-piperazine-1,4-diium Openeye Name: 1-[4-(4-chlorophenoxy)butyl]-4-ethyl-piperazine-1,4-diium CAS Name: 1-[4-(4-chlorophenoxy)butyl]-4-ethylpiperazine-1,4-diium IUPAC Name: 1-[4-(4-chlorophenoxy)butyl]-4-ethylpiperazine-1,4-diium Traditional Name: 1-[4-(4-chlorophenoxy)butyl]-4-ethyl-piperazine-1,4-diium Formula: C16H27ClN2O+2 MolecularWeight: 298.85138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H25ClN2O/c1-2-18-10-12-19(13-11-18)9-3-4-14-20-16-7-5-15(17)6-8-16/h5-8H,2-4,9-14H2,1H3/p+2