2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]ethanamide Openeye Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(2S)-6-methylheptan-2-yl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-6-methylheptan-2-yl]acetamide Traditional Name: N-[(1S)-1,5-dimethylhexyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H36N3O2+ MolecularWeight: 362.52944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C21H35N3O2/c1-17(2)7-5-8-18(3)22-21(25)16-23-11-13-24(14-12-23)19-9-6-10-20(15-19)26-4/h6,9-10,15,17-18H,5,7-8,11-14,16H2,1-4H3,(H,22,25)/p+1/t18-/m0/s1