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

Systemtic Name: 6-ethoxy-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 6-ethoxy-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 6-ethoxy-2-(4-ethyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 6-ethoxy-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 6-ethoxy-2-(4-ethylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C18H25N3O2+2 MolecularWeight: 315.41

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)OCC)C=O

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-3-20-7-9-21(10-8-20)18-15(13-22)11-14-12-16(23-4-2)5-6-17(14)19-18/h5-6,11-13H,3-4,7-10H2,1-2H3/p+2