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

Systemtic Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

InChI

InChI=1S/C17H19N3O2/c1-11-5-4-8-20(9-11)10-14-18-15-12-6-2-3-7-13(12)22-16(15)17(21)19-14/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,19,21)/p+1/t11-/m0/s1