3-[2-(2,4-dichlorophenyl)ethyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3-[2-(2,4-dichlorophenyl)ethyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Openeye Name: 3-[2-(2,4-dichlorophenyl)ethyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium CAS Name: 3-[2-(2,4-dichlorophenyl)ethyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-[2-(2,4-dichlorophenyl)ethyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Traditional Name: 3-[2-(2,4-dichlorophenyl)ethyl]-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium Formula: C18H20Cl2NO+ MolecularWeight: 337.2635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C[NH+](COC2=C1)CCC3=C(C=C(C=C3)Cl)Cl)C

Isomeric SMILES

CC1=CC(=C2C[NH+](COC2=C1)CCC3=C(C=C(C=C3)Cl)Cl)C

InChI

InChI=1S/C18H19Cl2NO/c1-12-7-13(2)16-10-21(11-22-18(16)8-12)6-5-14-3-4-15(19)9-17(14)20/h3-4,7-9H,5-6,10-11H2,1-2H3/p+1