3-cyclohexyl-8-methyl-5-phenyl-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3-cyclohexyl-8-methyl-5-phenyl-2H-1,3-benzoxazin-3-ium Openeye Name: 3-cyclohexyl-8-methyl-5-phenyl-2H-1,3-benzoxazin-3-ium CAS Name: 3-cyclohexyl-8-methyl-5-phenyl-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-cyclohexyl-8-methyl-5-phenyl-2H-1,3-benzoxazin-3-ium Traditional Name: 3-cyclohexyl-8-methyl-5-phenyl-2H-1,3-benzoxazin-3-ium Formula: C21H24NO+ MolecularWeight: 306.42136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C3=CC=CC=C3)C=[N+](CO2)C4CCCCC4

Isomeric SMILES

CC1=C2C(=C(C=C1)C3=CC=CC=C3)C=[N+](CO2)C4CCCCC4

InChI

InChI=1S/C21H24NO/c1-16-12-13-19(17-8-4-2-5-9-17)20-14-22(15-23-21(16)20)18-10-6-3-7-11-18/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15H2,1H3/q+1