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

Systemtic Name: 8-(1-adamantyl)-3-(4-dimethylaminophenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-(1-adamantyl)-3-(4-dimethylaminophenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one CAS Name: 8-(1-adamantyl)-3-(4-dimethylaminophenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-(1-adamantyl)-3-(4-dimethylaminophenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-(1-adamantyl)-3-(4-dimethylaminophenyl)-6-methyl-1,3-benzoxazin-3-ium-2-one Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N2O2/c1-17-8-21-16-29(23-6-4-22(5-7-23)28(2)3)26(30)31-25(21)24(9-17)27-13-18-10-19(14-27)12-20(11-18)15-27/h4-9,16,18-20H,10-15H2,1-3H3/q+1