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

Systemtic Name: 4-[4-(phenylmethyl)piperidin-1-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzylpiperidin-1-ium-1-yl)benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(phenylmethyl)-1-piperidin-1-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzylpiperidin-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzylpiperidin-1-ium-1-yl)benzofuro[3,2-d]pyrimidine Formula: C22H22N3O+ MolecularWeight: 344.42958

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)C3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)C3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C22H21N3O/c1-2-6-16(7-3-1)14-17-10-12-25(13-11-17)22-21-20(23-15-24-22)18-8-4-5-9-19(18)26-21/h1-9,15,17H,10-14H2/p+1