N-(2,5-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,5-dimethylphenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18-8-9-19(2)21(16-18)23-22(26)17-25-14-12-24(13-15-25)11-10-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)/p+1