(2S)-N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenethyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2,6-dimethylphenyl)-2-(4-phenethylpiperazin-1-ium-1-yl)propionamide Formula: C23H32N3O+ MolecularWeight: 366.51968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)[NH+]2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)[NH+]2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-18-8-7-9-19(2)22(18)24-23(27)20(3)26-16-14-25(15-17-26)13-12-21-10-5-4-6-11-21/h4-11,20H,12-17H2,1-3H3,(H,24,27)/p+1/t20-/m0/s1