N-methyl-2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide

Systemtic Name: N-methyl-2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)ethanamide Openeye Name: N-methyl-2-[(2R)-1-[(5-methyl-2-furyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide CAS Name: N-methyl-2-[(2R)-1-[(5-methyl-2-furanyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-(4-pyrimidinylmethyl)acetamide IUPAC Name: N-methyl-2-[(2R)-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-[(5-methyl-2-furyl)methyl]piperazin-1-ium-2-yl]-N-methyl-N-(4-pyrimidylmethyl)acetamide Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCNC(=O)C2CC(=O)N(C)CC3=NC=NC=C3

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCNC(=O)[C@H]2CC(=O)N(C)CC3=NC=NC=C3

InChI

InChI=1S/C18H23N5O3/c1-13-3-4-15(26-13)11-23-8-7-20-18(25)16(23)9-17(24)22(2)10-14-5-6-19-12-21-14/h3-6,12,16H,7-11H2,1-2H3,(H,20,25)/p+1/t16-/m1/s1