N-(2-ethyl-6-methyl-phenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[4-(m-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C22H29N3O/c1-4-19-9-6-8-18(3)22(19)23-21(26)16-24-11-13-25(14-12-24)20-10-5-7-17(2)15-20/h5-10,15H,4,11-14,16H2,1-3H3,(H,23,26)/p+1