2-ethyl-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 2-ethyl-4-[4-(phenylmethyl)piperidin-1-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine CAS Name: 2-ethyl-4-[4-(phenylmethyl)-1-piperidin-1-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzylpiperidin-1-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine Formula: C24H26N3O+ MolecularWeight: 372.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCC(CC3)CC4=CC=CC=C4)OC5=CC=CC=C52

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCC(CC3)CC4=CC=CC=C4)OC5=CC=CC=C52

InChI

InChI=1S/C24H25N3O/c1-2-21-25-22-19-10-6-7-11-20(19)28-23(22)24(26-21)27-14-12-18(13-15-27)16-17-8-4-3-5-9-17/h3-11,18H,2,12-16H2,1H3/p+1