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

Systemtic Name: 4-(azepan-1-ium-1-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(azepan-1-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine CAS Name: 4-(1-azepan-1-iumyl)-2-ethylbenzofuro[3,2-d]pyrimidine IUPAC Name: 4-(azepan-1-ium-1-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(azepan-1-ium-1-yl)-2-ethyl-benzofuro[3,2-d]pyrimidine Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCCCCC3)OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCCCCC3)OC4=CC=CC=C42

InChI

InChI=1S/C18H21N3O/c1-2-15-19-16-13-9-5-6-10-14(13)22-17(16)18(20-15)21-11-7-3-4-8-12-21/h5-6,9-10H,2-4,7-8,11-12H2,1H3/p+1