8-(1-adamantyl)-6-methoxy-3-methyl-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 8-(1-adamantyl)-6-methoxy-3-methyl-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-(1-adamantyl)-6-methoxy-3-methyl-1,3-benzoxazin-3-ium-2-one CAS Name: 8-(1-adamantyl)-6-methoxy-3-methyl-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-(1-adamantyl)-6-methoxy-3-methyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-(1-adamantyl)-6-methoxy-3-methyl-1,3-benzoxazin-3-ium-2-one Formula: C20H24NO3+ MolecularWeight: 326.40946

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=CC(=C2OC1=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

C[N+]1=CC2=CC(=CC(=C2OC1=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C20H24NO3/c1-21-11-15-6-16(23-2)7-17(18(15)24-19(21)22)20-8-12-3-13(9-20)5-14(4-12)10-20/h6-7,11-14H,3-5,8-10H2,1-2H3/q+1