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

Systemtic Name: [1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C30H30N3O2+ MolecularWeight: 464.5781

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)OC6=CC=CC=C62

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)OC6=CC=CC=C62

InChI

InChI=1S/C30H29N3O2/c1-2-26-31-27-24-15-9-10-16-25(24)35-28(27)29(32-26)33-19-17-23(18-20-33)30(34,21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16,23,34H,2,17-20H2,1H3/p+1