(1R)-1-[3-[(4-fluoranylphenoxy)methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: (1R)-1-[3-[(4-fluoranylphenoxy)methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: (1R)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: (1R)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: (1R)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: (1R)-1-[3-[(4-fluorophenoxy)methyl]-4-methoxy-phenyl]-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C25H24FN2O2+ MolecularWeight: 403.468663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)COC5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H]2C3=C(CC[NH2+]2)C4=CC=CC=C4N3)COC5=CC=C(C=C5)F

InChI

InChI=1S/C25H23FN2O2/c1-29-23-11-6-16(14-17(23)15-30-19-9-7-18(26)8-10-19)24-25-21(12-13-27-24)20-4-2-3-5-22(20)28-25/h2-11,14,24,27-28H,12-13,15H2,1H3/p+1/t24-/m1/s1