[1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C29H28N3O2+ MolecularWeight: 450.55152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)OC6=CC=CC=C62

Isomeric SMILES

CC1=NC2=C(C(=N1)[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)OC6=CC=CC=C62

InChI

InChI=1S/C29H27N3O2/c1-20-30-26-24-14-8-9-15-25(24)34-27(26)28(31-20)32-18-16-23(17-19-32)29(33,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,33H,16-19H2,1H3/p+1