1-(4-bromophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium ethanoate

Systemtic Name: 1-(4-bromophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium ethanoate Openeye Name: 1-(4-bromophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate CAS Name: 1-(4-bromophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate IUPAC Name: 1-(4-bromophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate Traditional Name: 1-(4-bromophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium acetate Formula: C20H21BrN2O3 MolecularWeight: 417.29634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)[O-].COC1=CC2=C(C=C1)NC3=C2CC[NH2+]C3C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H17BrN2O.C2H4O2/c1-22-13-6-7-16-15(10-13)14-8-9-20-17(18(14)21-16)11-2-4-12(19)5-3-11;1-2(3)4/h2-7,10,17,20-21H,8-9H2,1H3;1H3,(H,3,4)