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

Systemtic Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propionamide Formula: C19H31N4O2+ MolecularWeight: 347.47504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)C(C)C(=O)NC(=O)NC(C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)[C@H](C)C(=O)NC(=O)NC(C)C)C

InChI

InChI=1S/C19H30N4O2/c1-13(2)20-19(25)21-18(24)16(5)22-9-11-23(12-10-22)17-8-6-7-14(3)15(17)4/h6-8,13,16H,9-12H2,1-5H3,(H2,20,21,24,25)/p+1/t16-/m1/s1