N-(2,6-dimethylphenyl)-2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H30N3O2+ MolecularWeight: 380.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C23H29N3O2/c1-4-19-8-10-20(11-9-19)23(28)26-14-12-25(13-15-26)16-21(27)24-22-17(2)6-5-7-18(22)3/h5-11H,4,12-16H2,1-3H3,(H,24,27)/p+1