N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C19H23N6O4+ MolecularWeight: 399.42372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6O4/c26-17(13-24-6-8-25(9-7-24)18-20-4-1-5-21-18)23-19(27)22-14-2-3-15-16(12-14)29-11-10-28-15/h1-5,12H,6-11,13H2,(H2,22,23,26,27)/p+1