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

Systemtic Name: 2-methyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1]benzofuro[3,2-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-benzofuro[3,2-d]pyrimidine CAS Name: 2-methyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]benzofuro[3,2-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-[1]benzofuro[3,2-d]pyrimidine Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-benzofuro[3,2-d]pyrimidine Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC4=CC=CC=C4)OC5=CC=CC=C52

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CC[NH+](CC3)CC4=CC=CC=C4)OC5=CC=CC=C52

InChI

InChI=1S/C22H22N4O/c1-16-23-20-18-9-5-6-10-19(18)27-21(20)22(24-16)26-13-11-25(12-14-26)15-17-7-3-2-4-8-17/h2-10H,11-15H2,1H3/p+1