1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C25H28ClN2O+ MolecularWeight: 407.95562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C25H27ClN2O/c1-19-5-3-8-25(20(19)2)28-15-13-27(14-16-28)18-21-6-4-7-24(17-21)29-23-11-9-22(26)10-12-23/h3-12,17H,13-16,18H2,1-2H3/p+1