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

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-yl-quinolin-1-ium-3-carbaldehyde Openeye Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-6-propan-2-yl-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)-6-propan-2-ylquinolin-1-ium-3-carbaldehyde Traditional Name: 6-isopropyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C18H25N3O+2 MolecularWeight: 299.4106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O/c1-13(2)14-4-5-17-15(10-14)11-16(12-22)18(19-17)21-8-6-20(3)7-9-21/h4-5,10-13H,6-9H2,1-3H3/p+2