6-methoxy-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 6-methoxy-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 6-methoxy-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 6-methoxy-2-(4-phenyl-1-piperazinyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 6-methoxy-2-(4-phenylpiperazin-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 6-methoxy-2-(4-phenylpiperazino)quinolin-1-ium-3-carbaldehyde Formula: C21H22N3O2+ MolecularWeight: 348.41828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C([NH+]=C2C=C1)N3CCN(CC3)C4=CC=CC=C4)C=O

Isomeric SMILES

COC1=CC2=CC(=C([NH+]=C2C=C1)N3CCN(CC3)C4=CC=CC=C4)C=O

InChI

InChI=1S/C21H21N3O2/c1-26-19-7-8-20-16(14-19)13-17(15-25)21(22-20)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h2-8,13-15H,9-12H2,1H3/p+1