(2R)-N-(3-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]propionamide Formula: C22H27N4O+ MolecularWeight: 363.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C22H26N4O/c1-16-6-4-9-21(17(16)2)26-12-10-25(11-13-26)18(3)22(27)24-20-8-5-7-19(14-20)15-23/h4-9,14,18H,10-13H2,1-3H3,(H,24,27)/p+1/t18-/m1/s1