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

Systemtic Name: 2-azanyl-4-[4-[(2-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thiophenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C22H21BrN3OS+ MolecularWeight: 455.39064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C=C(S1)C2=C(C(=[NH+]C3=C2CCCC3)N)C#N)COC4=CC=CC=C4Br

InChI

InChI=1S/C22H20BrN3OS/c1-13-14(12-27-19-9-5-3-7-17(19)23)10-20(28-13)21-15-6-2-4-8-18(15)26-22(25)16(21)11-24/h3,5,7,9-10H,2,4,6,8,12H2,1H3,(H2,25,26)/p+1