2-(azepan-1-ium-1-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(azepan-1-ium-1-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-(azepan-1-ium-1-ylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-(1-azepan-1-iumylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-(azepan-1-ium-1-ylmethyl)-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-(azepan-1-ium-1-ylmethyl)-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C17H19N3O2/c21-17-16-15(12-7-3-4-8-13(12)22-16)18-14(19-17)11-20-9-5-1-2-6-10-20/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19,21)/p+1