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

Systemtic Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 6-methyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C16H21N3O+2 MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CC[NH+](CC3)C)C=O

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)N3CC[NH+](CC3)C)C=O

InChI

InChI=1S/C16H19N3O/c1-12-3-4-15-13(9-12)10-14(11-20)16(17-15)19-7-5-18(2)6-8-19/h3-4,9-11H,5-8H2,1-2H3/p+2