2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C17H19N4O3+ MolecularWeight: 327.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C17H18N4O3/c1-11(22)21-8-6-20(7-9-21)10-14-18-15-12-4-2-3-5-13(12)24-16(15)17(23)19-14/h2-5H,6-10H2,1H3,(H,18,19,23)/p+1