N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-(4-propyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H33N3OS+2 MolecularWeight: 399.59262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)SC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H31N3OS/c1-4-11-25-12-14-26(15-13-25)17-23(27)24-20-6-8-21(9-7-20)28-22-10-5-18(2)16-19(22)3/h5-10,16H,4,11-15,17H2,1-3H3,(H,24,27)/p+2