2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(6-methylpyridin-2-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-methoxy-3-methyl-benzyl)piperazin-1-ium-2-yl]-N-[(6-methyl-2-pyridyl)methyl]acetamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

Isomeric SMILES

CC1=NC(=CC=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC(=C(C=C3)OC)C

InChI

InChI=1S/C22H28N4O3/c1-15-11-17(7-8-20(15)29-3)14-26-10-9-23-22(28)19(26)12-21(27)24-13-18-6-4-5-16(2)25-18/h4-8,11,19H,9-10,12-14H2,1-3H3,(H,23,28)(H,24,27)/p+1/t19-/m1/s1