7-(2-methoxy-1-benzofuran-4-yl)-2,3-dimethyl-2-(phenylmethyl)-4a,5,8,8a-tetrahydro-4H-phthalazin-2-ium-1-one

Systemtic Name: 7-(2-methoxy-1-benzofuran-4-yl)-2,3-dimethyl-2-(phenylmethyl)-4a,5,8,8a-tetrahydro-4H-phthalazin-2-ium-1-one Openeye Name: 2-benzyl-7-(2-methoxybenzofuran-4-yl)-2,3-dimethyl-4a,5,8,8a-tetrahydro-4H-phthalazin-2-ium-1-one CAS Name: 7-(2-methoxy-4-benzofuranyl)-2,3-dimethyl-2-(phenylmethyl)-4a,5,8,8a-tetrahydro-4H-phthalazin-2-ium-1-one IUPAC Name: 2-benzyl-7-(2-methoxy-1-benzofuran-4-yl)-2,3-dimethyl-4a,5,8,8a-tetrahydro-4H-phthalazin-2-ium-1-one Traditional Name: 2-benzyl-7-(2-methoxybenzofuran-4-yl)-2,3-dimethyl-4a,5,8,8a-tetrahydro-4H-phthalazin-2-ium-1-one Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC=C(CC2C(=O)[N+]1(C)CC3=CC=CC=C3)C4=C5C=C(OC5=CC=C4)OC

Isomeric SMILES

CN1CC2CC=C(CC2C(=O)[N+]1(C)CC3=CC=CC=C3)C4=C5C=C(OC5=CC=C4)OC

InChI

InChI=1S/C26H29N2O3/c1-27-16-20-13-12-19(21-10-7-11-24-23(21)15-25(30-3)31-24)14-22(20)26(29)28(27,2)17-18-8-5-4-6-9-18/h4-12,15,20,22H,13-14,16-17H2,1-3H3/q+1