1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-carboxylic acid Openeye Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-carboxylic acid CAS Name: 1-(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-carboxylic acid Traditional Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-carboxylic acid Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCC(CC3)C(=O)O)OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCC(CC3)C(=O)O)OC4=CC=CC=C42

InChI

InChI=1S/C18H19N3O3/c1-2-14-19-15-12-5-3-4-6-13(12)24-16(15)17(20-14)21-9-7-11(8-10-21)18(22)23/h3-6,11H,2,7-10H2,1H3,(H,22,23)/p+1