4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine

Systemtic Name: 4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-[4-(m-tolyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine CAS Name: 4-[4-(3-methylphenyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-[4-(3-methylphenyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-[4-(m-tolyl)piperazin-4-ium-1-yl]benzofuro[3,2-d]pyrimidine Formula: C21H21N4O+ MolecularWeight: 345.41764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[NH+]2CCN(CC2)C3=NC=NC4=C3OC5=CC=CC=C54

Isomeric SMILES

CC1=CC(=CC=C1)[NH+]2CCN(CC2)C3=NC=NC4=C3OC5=CC=CC=C54

InChI

InChI=1S/C21H20N4O/c1-15-5-4-6-16(13-15)24-9-11-25(12-10-24)21-20-19(22-14-23-21)17-7-2-3-8-18(17)26-20/h2-8,13-14H,9-12H2,1H3/p+1