6-ethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 6-ethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 6-ethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 6-ethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 6-ethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 6-ethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C17H23N3O+2 MolecularWeight: 285.38402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC(=C([NH+]=C2C=C1)N3CC[NH+](CC3)C)C=O

Isomeric SMILES

CCC1=CC2=CC(=C([NH+]=C2C=C1)N3CC[NH+](CC3)C)C=O

InChI

InChI=1S/C17H21N3O/c1-3-13-4-5-16-14(10-13)11-15(12-21)17(18-16)20-8-6-19(2)7-9-20/h4-5,10-12H,3,6-9H2,1-2H3/p+2