2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: 2-(4-bromanyl-2-chloranyl-phenoxy)ethanoyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: [2-(4-bromo-2-chloro-phenoxy)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium CAS Name: [2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)ammonium IUPAC Name: [2-(4-bromo-2-chlorophenoxy)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Traditional Name: [2-(4-bromo-2-chloro-phenoxy)acetyl]-(2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)ammonium Formula: C18H18BrClNO4+ MolecularWeight: 427.69682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)COC3=C(C=C(C=C3)Br)Cl)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)COC3=C(C=C(C=C3)Br)Cl)CC2OC(=C1)O

InChI

InChI=1S/C18H17BrClNO4/c1-10-6-18(23)25-16-8-12(3-4-13(10)16)21-17(22)9-24-15-5-2-11(19)7-14(15)20/h2,5-7,16,23H,3-4,8-9H2,1H3/p+1