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

Systemtic Name: 2-azanyl-4-[4-[(4-fluoranylphenoxy)methyl]-3-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-[4-[(4-fluorophenoxy)methyl]-3-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile CAS Name: 2-amino-4-[4-[(4-fluorophenoxy)methyl]-3-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile IUPAC Name: 2-amino-4-[4-[(4-fluorophenoxy)methyl]-3-methoxyphenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-[4-[(4-fluorophenoxy)methyl]-3-methoxy-phenyl]-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile Formula: C24H23FN3O2+ MolecularWeight: 404.456723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22FN3O2/c1-29-22-12-15(6-7-16(22)14-30-18-10-8-17(25)9-11-18)23-19-4-2-3-5-21(19)28-24(27)20(23)13-26/h6-12H,2-5,14H2,1H3,(H2,27,28)/p+1