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

Systemtic Name: 1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium ethanoate Openeye Name: 1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate CAS Name: 1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate IUPAC Name: 1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium acetate Traditional Name: 1-(4-bromophenyl)-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium acetate Formula: C19H19BrN2O2 MolecularWeight: 387.27036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)[O-].C1C[NH2+]C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H15BrN2.C2H4O2/c18-12-7-5-11(6-8-12)16-17-14(9-10-19-16)13-3-1-2-4-15(13)20-17;1-2(3)4/h1-8,16,19-20H,9-10H2;1H3,(H,3,4)