3-cyclohexyl-8-methyl-6-phenyl-1,3-benzoxazin-3-ium-2-one

Systemtic Name: 3-cyclohexyl-8-methyl-6-phenyl-1,3-benzoxazin-3-ium-2-one Openeye Name: 3-cyclohexyl-8-methyl-6-phenyl-1,3-benzoxazin-3-ium-2-one CAS Name: 3-cyclohexyl-8-methyl-6-phenyl-1,3-benzoxazin-3-ium-2-one IUPAC Name: 3-cyclohexyl-8-methyl-6-phenyl-1,3-benzoxazin-3-ium-2-one Traditional Name: 3-cyclohexyl-8-methyl-6-phenyl-1,3-benzoxazin-3-ium-2-one Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C3=CC=CC=C3)C=[N+](C(=O)O2)C4CCCCC4

Isomeric SMILES

CC1=C2C(=CC(=C1)C3=CC=CC=C3)C=[N+](C(=O)O2)C4CCCCC4

InChI

InChI=1S/C21H22NO2/c1-15-12-17(16-8-4-2-5-9-16)13-18-14-22(21(23)24-20(15)18)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11H2,1H3/q+1