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

Systemtic Name: N-methyl-2-[(2R)-3-oxidanylidene-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-[(E)-cinnamyl]-3-oxo-piperazin-1-ium-2-yl]-N-methyl-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]-2-piperazin-1-iumyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-3-oxo-1-[(E)-3-phenylprop-2-enyl]piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-[(E)-cinnamyl]-3-keto-piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C21H26N5O2+ MolecularWeight: 380.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-25(15-18-9-10-22-16-24-18)20(27)14-19-21(28)23-11-13-26(19)12-5-8-17-6-3-2-4-7-17/h2-10,16,19H,11-15H2,1H3,(H,23,28)/p+1/b8-5+/t19-/m1/s1