6-methoxy-3-(phenylmethyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 6-methoxy-3-(phenylmethyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-benzyl-6-methoxy-8-(1-methyl-1-phenyl-ethyl)-1,3-benzoxazin-3-ium-2-one CAS Name: 6-methoxy-3-(phenylmethyl)-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-benzyl-6-methoxy-8-(2-phenylpropan-2-yl)-1,3-benzoxazin-3-ium-2-one Traditional Name: 3-benzyl-8-cumyl-6-methoxy-1,3-benzoxazin-3-ium-2-one Formula: C25H24NO3+ MolecularWeight: 386.46296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=C3C(=CC(=C2)OC)C=[N+](C(=O)O3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=C3C(=CC(=C2)OC)C=[N+](C(=O)O3)CC4=CC=CC=C4

InChI

InChI=1S/C25H24NO3/c1-25(2,20-12-8-5-9-13-20)22-15-21(28-3)14-19-17-26(24(27)29-23(19)22)16-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3/q+1