N-methyl-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=NC=C1)C(=O)CC2C(=O)NCC[NH+]2CCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=NC=NC=C1)C(=O)C[C@@H]2C(=O)NCC[NH+]2CCC3=CC=CC=C3

InChI

InChI=1S/C20H25N5O2/c1-24(14-17-7-9-21-15-23-17)19(26)13-18-20(27)22-10-12-25(18)11-8-16-5-3-2-4-6-16/h2-7,9,15,18H,8,10-14H2,1H3,(H,22,27)/p+1/t18-/m1/s1