(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C26H30N3O+ MolecularWeight: 400.5359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O/c1-20-13-14-21(2)24(19-20)27-26(30)25(22-9-5-3-6-10-22)29-17-15-28(16-18-29)23-11-7-4-8-12-23/h3-14,19,25H,15-18H2,1-2H3,(H,27,30)/p+1/t25-/m0/s1