6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde

Systemtic Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Openeye Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde CAS Name: 6,8-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolin-1-iumcarboxaldehyde IUPAC Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Traditional Name: 6,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium-3-carbaldehyde Formula: C17H23N3O+2 MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O/c1-12-8-13(2)16-14(9-12)10-15(11-21)17(18-16)20-6-4-19(3)5-7-20/h8-11H,4-7H2,1-3H3/p+2