2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-[5-[(2-bromanylphenoxy)methyl]furan-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2-furyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2-furanyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]furan-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[5-[(2-bromophenoxy)methyl]-2-furyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C21H19BrN3O2+ MolecularWeight: 425.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(O3)COC4=CC=CC=C4Br

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=[NH+]2)N)C#N)C3=CC=C(O3)COC4=CC=CC=C4Br

InChI

InChI=1S/C21H18BrN3O2/c22-16-6-2-4-8-18(16)26-12-13-9-10-19(27-13)20-14-5-1-3-7-17(14)25-21(24)15(20)11-23/h2,4,6,8-10H,1,3,5,7,12H2,(H2,24,25)/p+1