2-azanyl-4-[3-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-4-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-[3-[(4-bromanyl-2-chloranyl-phenoxy)methyl]-4-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[3-[(4-bromo-2-chloro-phenoxy)methyl]-4-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[3-[(4-bromo-2-chloro-phenoxy)methyl]-4-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C24H22BrClN3O2+ MolecularWeight: 499.80738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C24H21BrClN3O2/c1-30-21-8-6-14(10-15(21)13-31-22-9-7-16(25)11-19(22)26)23-17-4-2-3-5-20(17)29-24(28)18(23)12-27/h6-11H,2-5,13H2,1H3,(H2,28,29)/p+1