N-[(4-dimethylaminophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]-N-methylacetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methylacetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-N-methyl-acetamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C)C(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H30N4O2/c1-23(2)19-10-8-18(9-11-19)16-24(3)22(28)17-25-12-14-26(15-13-25)20-6-4-5-7-21(20)27/h4-11,27H,12-17H2,1-3H3/p+1