N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]acetamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)CCNC(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)CCNC(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N5O2/c1-16-14-17(2)26-20(25-16)8-10-23-21(28)15-19-22(29)24-11-13-27(19)12-9-18-6-4-3-5-7-18/h3-7,14,19H,8-13,15H2,1-2H3,(H,23,28)(H,24,29)/p+1/t19-/m1/s1