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

Systemtic Name: 2-azanyl-4-[3-[(3-bromanylphenoxy)methyl]-4-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[3-[(3-bromophenoxy)methyl]-4-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C24H23BrN3O2+ MolecularWeight: 465.36232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN3O2/c1-29-22-10-9-15(11-16(22)14-30-18-6-4-5-17(25)12-18)23-19-7-2-3-8-21(19)28-24(27)20(23)13-26/h4-6,9-12H,2-3,7-8,14H2,1H3,(H2,27,28)/p+1