2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-methyl-N-(2-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-2,3-dimethyl-benzyl)piperazin-1-ium-2-yl]-N-methyl-N-(2-pyridylmethyl)acetamide Formula: C23H31N4O3+ MolecularWeight: 411.51724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=CC=CC=N3

InChI

InChI=1S/C23H30N4O3/c1-16-17(2)21(30-4)9-8-18(16)14-27-12-11-25-23(29)20(27)13-22(28)26(3)15-19-7-5-6-10-24-19/h5-10,20H,11-15H2,1-4H3,(H,25,29)/p+1/t20-/m1/s1