6-chloranyl-3-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium

Systemtic Name: 6-chloranyl-3-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Openeye Name: 6-chloro-3-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium CAS Name: 6-chloro-3-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium IUPAC Name: 6-chloro-3-[(4-fluorophenyl)methyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Traditional Name: 6-chloro-3-(4-fluorobenzyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Formula: C17H18ClFNO+ MolecularWeight: 306.782323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C[NH+](CO2)CC3=CC=C(C=C3)F)C(=C1Cl)C

Isomeric SMILES

CC1=CC2=C(C[NH+](CO2)CC3=CC=C(C=C3)F)C(=C1Cl)C

InChI

InChI=1S/C17H17ClFNO/c1-11-7-16-15(12(2)17(11)18)9-20(10-21-16)8-13-3-5-14(19)6-4-13/h3-7H,8-10H2,1-2H3/p+1