8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one CAS Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-(1-adamantyl)-3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one Formula: C26H28NO3+ MolecularWeight: 402.50542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=[N+](C(=O)O2)C3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC(=C2C(=C1)C=[N+](C(=O)O2)C3=CC=C(C=C3)OC)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H28NO3/c1-16-7-20-15-27(21-3-5-22(29-2)6-4-21)25(28)30-24(20)23(8-16)26-12-17-9-18(13-26)11-19(10-17)14-26/h3-8,15,17-19H,9-14H2,1-2H3/q+1