(2S)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2,4-dimethylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2,4-dimethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O+ MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-16-9-10-20(17(2)15-16)22-21(25)18(3)23-11-13-24(14-12-23)19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3,(H,22,25)/p+1/t18-/m0/s1