N-(2,3-dimethylphenyl)-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[1-oxo-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=N3)C

InChI

InChI=1S/C22H29N5O2/c1-17-6-5-8-20(18(17)2)25-21(28)14-24-22(29)16-27-12-10-26(11-13-27)15-19-7-3-4-9-23-19/h3-9H,10-16H2,1-2H3,(H,24,29)(H,25,28)/p+1