6-bromanyl-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 6-bromanyl-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 6-bromo-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 6-bromo-2-(4-ethyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 6-bromo-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 6-bromo-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C16H20BrN3O+2 MolecularWeight: 350.2535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)Br)C=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)Br)C=O

InChI

InChI=1S/C16H18BrN3O/c1-2-19-5-7-20(8-6-19)16-13(11-21)9-12-10-14(17)3-4-15(12)18-16/h3-4,9-11H,2,5-8H2,1H3/p+2